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/IGHCON-9e002926/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/IGHCON-9e002926/inputs/seq.fa: 2
curr_seq: _UUGUAAUUCUUGAAAGGUUAAUUGCACUAUUUAUAGACCAAACUGUAAAGCAAAAACCCUCAGCGUGACCCUUCAGGGUCACCGUAGUAAUAGCAACCUCAGUGGAGACCUGACCAGUCAUGAAUUACUGUCUGUGAUACUGAGAAUGCUGACAGUUCAAUCACAGCACUGUUUCAAUAGAGAACUCCUAUAUUUAAAGCGCUGAUACUGUUUUCCCUCUAAAUGACAGGCUUGACAGAUGGGCCAAAAGCACCGCAGACGUUUGAACAAGGAAAUAG_
curr_seq: _AGAGGGAGCCUGC_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: UUGUAAUUCUUGAAAGGUUAAUUGCACUAUUUAUAGACCAAACUGUAAAGCAAAAACCCUCAGCGUGACCCUUCAGGGUCACCGUAGUAAUAGCAACCUCAGUGGAGACCUGACCAGUCAUGAAUUACUGUCUGUGAUACUGAGAAUGCUGACAGUUCAAUCACAGCACUGUUUCAAUAGAGAACUCCUAUAUUUAAAGCGCUGAUACUGUUUUCCCUCUAAAUGACAGGCUUGACAGAUGGGCCAAAAGCACCGCAGACGUUUGAACAAGGAAAUAG
chainId: B, chainSeq: AGAGGGAGCCUGC
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 278 nucleotides
chain B contains 13 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: 1465
n_atoms_counter: 1465
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 291.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 291.000000 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/IGHCON-9e002926/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/IGHCON-9e002926/inputs/seq.fa: 2
curr_seq: _UUGUAAUUCUUGAAAGGUUAAUUGCACUAUUUAUAGACCAAACUGUAAAGCAAAAACCCUCAGCGUGACCCUUCAGGGUCACCGUAGUAAUAGCAACCUCAGUGGAGACCUGACCAGUCAUGAAUUACUGUCUGUGAUACUGAGAAUGCUGACAGUUCAAUCACAGCACUGUUUCAAUAGAGAACUCCUAUAUUUAAAGCGCUGAUACUGUUUUCCCUCUAAAUGACAGGCUUGACAGAUGGGCCAAAAGCACCGCAGACGUUUGAACAAGGAAAUAG_
curr_seq: _AGAGGGAGCCUGC_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: UUGUAAUUCUUGAAAGGUUAAUUGCACUAUUUAUAGACCAAACUGUAAAGCAAAAACCCUCAGCGUGACCCUUCAGGGUCACCGUAGUAAUAGCAACCUCAGUGGAGACCUGACCAGUCAUGAAUUACUGUCUGUGAUACUGAGAAUGCUGACAGUUCAAUCACAGCACUGUUUCAAUAGAGAACUCCUAUAUUUAAAGCGCUGAUACUGUUUUCCCUCUAAAUGACAGGCUUGACAGAUGGGCCAAAAGCACCGCAGACGUUUGAACAAGGAAAUAG
chainId: B, chainSeq: AGAGGGAGCCUGC
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 278 nucleotides
chain B contains 13 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: 1465
n_atoms_counter: 1465
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 291.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 291.000000 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/IGHCON-9e002926/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/IGHCON-9e002926/inputs/seq.fa: 2
curr_seq: _UUGUAAUUCUUGAAAGGUUAAUUGCACUAUUUAUAGACCAAACUGUAAAGCAAAAACCCUCAGCGUGACCCUUCAGGGUCACCGUAGUAAUAGCAACCUCAGUGGAGACCUGACCAGUCAUGAAUUACUGUCUGUGAUACUGAGAAUGCUGACAGUUCAAUCACAGCACUGUUUCAAUAGAGAACUCCUAUAUUUAAAGCGCUGAUACUGUUUUCCCUCUAAAUGACAGGCUUGACAGAUGGGCCAAAAGCACCGCAGACGUUUGAACAAGGAAAUAG_
curr_seq: _AGAGGGAGCCUGC_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: UUGUAAUUCUUGAAAGGUUAAUUGCACUAUUUAUAGACCAAACUGUAAAGCAAAAACCCUCAGCGUGACCCUUCAGGGUCACCGUAGUAAUAGCAACCUCAGUGGAGACCUGACCAGUCAUGAAUUACUGUCUGUGAUACUGAGAAUGCUGACAGUUCAAUCACAGCACUGUUUCAAUAGAGAACUCCUAUAUUUAAAGCGCUGAUACUGUUUUCCCUCUAAAUGACAGGCUUGACAGAUGGGCCAAAAGCACCGCAGACGUUUGAACAAGGAAAUAG
chainId: B, chainSeq: AGAGGGAGCCUGC
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 278 nucleotides
chain B contains 13 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: 1465
n_atoms_counter: 1465
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 291.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 291.000000 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/IGHCON-9e002926/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/IGHCON-9e002926/inputs/seq.fa: 2
curr_seq: _UUGUAAUUCUUGAAAGGUUAAUUGCACUAUUUAUAGACCAAACUGUAAAGCAAAAACCCUCAGCGUGACCCUUCAGGGUCACCGUAGUAAUAGCAACCUCAGUGGAGACCUGACCAGUCAUGAAUUACUGUCUGUGAUACUGAGAAUGCUGACAGUUCAAUCACAGCACUGUUUCAAUAGAGAACUCCUAUAUUUAAAGCGCUGAUACUGUUUUCCCUCUAAAUGACAGGCUUGACAGAUGGGCCAAAAGCACCGCAGACGUUUGAACAAGGAAAUAG_
curr_seq: _AGAGGGAGCCUGC_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: UUGUAAUUCUUGAAAGGUUAAUUGCACUAUUUAUAGACCAAACUGUAAAGCAAAAACCCUCAGCGUGACCCUUCAGGGUCACCGUAGUAAUAGCAACCUCAGUGGAGACCUGACCAGUCAUGAAUUACUGUCUGUGAUACUGAGAAUGCUGACAGUUCAAUCACAGCACUGUUUCAAUAGAGAACUCCUAUAUUUAAAGCGCUGAUACUGUUUUCCCUCUAAAUGACAGGCUUGACAGAUGGGCCAAAAGCACCGCAGACGUUUGAACAAGGAAAUAG
chainId: B, chainSeq: AGAGGGAGCCUGC
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 278 nucleotides
chain B contains 13 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: 1465
n_atoms_counter: 1465
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 291.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 291.000000 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/IGHCON-9e002926/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/IGHCON-9e002926/inputs/seq.fa: 2
curr_seq: _UUGUAAUUCUUGAAAGGUUAAUUGCACUAUUUAUAGACCAAACUGUAAAGCAAAAACCCUCAGCGUGACCCUUCAGGGUCACCGUAGUAAUAGCAACCUCAGUGGAGACCUGACCAGUCAUGAAUUACUGUCUGUGAUACUGAGAAUGCUGACAGUUCAAUCACAGCACUGUUUCAAUAGAGAACUCCUAUAUUUAAAGCGCUGAUACUGUUUUCCCUCUAAAUGACAGGCUUGACAGAUGGGCCAAAAGCACCGCAGACGUUUGAACAAGGAAAUAG_
curr_seq: _AGAGGGAGCCUGC_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: UUGUAAUUCUUGAAAGGUUAAUUGCACUAUUUAUAGACCAAACUGUAAAGCAAAAACCCUCAGCGUGACCCUUCAGGGUCACCGUAGUAAUAGCAACCUCAGUGGAGACCUGACCAGUCAUGAAUUACUGUCUGUGAUACUGAGAAUGCUGACAGUUCAAUCACAGCACUGUUUCAAUAGAGAACUCCUAUAUUUAAAGCGCUGAUACUGUUUUCCCUCUAAAUGACAGGCUUGACAGAUGGGCCAAAAGCACCGCAGACGUUUGAACAAGGAAAUAG
chainId: B, chainSeq: AGAGGGAGCCUGC
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 278 nucleotides
chain B contains 13 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: 1465
n_atoms_counter: 1465
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 291.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 291.000000 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/IGHCON-9e002926/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/IGHCON-9e002926/inputs/seq.fa: 2
curr_seq: _UUGUAAUUCUUGAAAGGUUAAUUGCACUAUUUAUAGACCAAACUGUAAAGCAAAAACCCUCAGCGUGACCCUUCAGGGUCACCGUAGUAAUAGCAACCUCAGUGGAGACCUGACCAGUCAUGAAUUACUGUCUGUGAUACUGAGAAUGCUGACAGUUCAAUCACAGCACUGUUUCAAUAGAGAACUCCUAUAUUUAAAGCGCUGAUACUGUUUUCCCUCUAAAUGACAGGCUUGACAGAUGGGCCAAAAGCACCGCAGACGUUUGAACAAGGAAAUAG_
curr_seq: _AGAGGGAGCCUGC_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: UUGUAAUUCUUGAAAGGUUAAUUGCACUAUUUAUAGACCAAACUGUAAAGCAAAAACCCUCAGCGUGACCCUUCAGGGUCACCGUAGUAAUAGCAACCUCAGUGGAGACCUGACCAGUCAUGAAUUACUGUCUGUGAUACUGAGAAUGCUGACAGUUCAAUCACAGCACUGUUUCAAUAGAGAACUCCUAUAUUUAAAGCGCUGAUACUGUUUUCCCUCUAAAUGACAGGCUUGACAGAUGGGCCAAAAGCACCGCAGACGUUUGAACAAGGAAAUAG
chainId: B, chainSeq: AGAGGGAGCCUGC
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 278 nucleotides
chain B contains 13 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: 1465
n_atoms_counter: 1465
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 291.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 291.000000 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/IGHCON-9e002926/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/IGHCON-9e002926/inputs/seq.fa: 2
curr_seq: _UUGUAAUUCUUGAAAGGUUAAUUGCACUAUUUAUAGACCAAACUGUAAAGCAAAAACCCUCAGCGUGACCCUUCAGGGUCACCGUAGUAAUAGCAACCUCAGUGGAGACCUGACCAGUCAUGAAUUACUGUCUGUGAUACUGAGAAUGCUGACAGUUCAAUCACAGCACUGUUUCAAUAGAGAACUCCUAUAUUUAAAGCGCUGAUACUGUUUUCCCUCUAAAUGACAGGCUUGACAGAUGGGCCAAAAGCACCGCAGACGUUUGAACAAGGAAAUAG_
curr_seq: _AGAGGGAGCCUGC_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: UUGUAAUUCUUGAAAGGUUAAUUGCACUAUUUAUAGACCAAACUGUAAAGCAAAAACCCUCAGCGUGACCCUUCAGGGUCACCGUAGUAAUAGCAACCUCAGUGGAGACCUGACCAGUCAUGAAUUACUGUCUGUGAUACUGAGAAUGCUGACAGUUCAAUCACAGCACUGUUUCAAUAGAGAACUCCUAUAUUUAAAGCGCUGAUACUGUUUUCCCUCUAAAUGACAGGCUUGACAGAUGGGCCAAAAGCACCGCAGACGUUUGAACAAGGAAAUAG
chainId: B, chainSeq: AGAGGGAGCCUGC
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 278 nucleotides
chain B contains 13 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: 1465
n_atoms_counter: 1465
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 291.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 291.000000 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/IGHCON-9e002926/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/IGHCON-9e002926/inputs/seq.fa: 2
curr_seq: _UUGUAAUUCUUGAAAGGUUAAUUGCACUAUUUAUAGACCAAACUGUAAAGCAAAAACCCUCAGCGUGACCCUUCAGGGUCACCGUAGUAAUAGCAACCUCAGUGGAGACCUGACCAGUCAUGAAUUACUGUCUGUGAUACUGAGAAUGCUGACAGUUCAAUCACAGCACUGUUUCAAUAGAGAACUCCUAUAUUUAAAGCGCUGAUACUGUUUUCCCUCUAAAUGACAGGCUUGACAGAUGGGCCAAAAGCACCGCAGACGUUUGAACAAGGAAAUAG_
curr_seq: _AGAGGGAGCCUGC_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: UUGUAAUUCUUGAAAGGUUAAUUGCACUAUUUAUAGACCAAACUGUAAAGCAAAAACCCUCAGCGUGACCCUUCAGGGUCACCGUAGUAAUAGCAACCUCAGUGGAGACCUGACCAGUCAUGAAUUACUGUCUGUGAUACUGAGAAUGCUGACAGUUCAAUCACAGCACUGUUUCAAUAGAGAACUCCUAUAUUUAAAGCGCUGAUACUGUUUUCCCUCUAAAUGACAGGCUUGACAGAUGGGCCAAAAGCACCGCAGACGUUUGAACAAGGAAAUAG
chainId: B, chainSeq: AGAGGGAGCCUGC
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 278 nucleotides
chain B contains 13 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: 1465
n_atoms_counter: 1465
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 291.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 291.000000 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/IGHCON-9e002926/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/IGHCON-9e002926/inputs/seq.fa: 2
curr_seq: _UUGUAAUUCUUGAAAGGUUAAUUGCACUAUUUAUAGACCAAACUGUAAAGCAAAAACCCUCAGCGUGACCCUUCAGGGUCACCGUAGUAAUAGCAACCUCAGUGGAGACCUGACCAGUCAUGAAUUACUGUCUGUGAUACUGAGAAUGCUGACAGUUCAAUCACAGCACUGUUUCAAUAGAGAACUCCUAUAUUUAAAGCGCUGAUACUGUUUUCCCUCUAAAUGACAGGCUUGACAGAUGGGCCAAAAGCACCGCAGACGUUUGAACAAGGAAAUAG_
curr_seq: _AGAGGGAGCCUGC_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: UUGUAAUUCUUGAAAGGUUAAUUGCACUAUUUAUAGACCAAACUGUAAAGCAAAAACCCUCAGCGUGACCCUUCAGGGUCACCGUAGUAAUAGCAACCUCAGUGGAGACCUGACCAGUCAUGAAUUACUGUCUGUGAUACUGAGAAUGCUGACAGUUCAAUCACAGCACUGUUUCAAUAGAGAACUCCUAUAUUUAAAGCGCUGAUACUGUUUUCCCUCUAAAUGACAGGCUUGACAGAUGGGCCAAAAGCACCGCAGACGUUUGAACAAGGAAAUAG
chainId: B, chainSeq: AGAGGGAGCCUGC
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 278 nucleotides
chain B contains 13 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: 1465
n_atoms_counter: 1465
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 291.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 291.000000 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/IGHCON-9e002926/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/IGHCON-9e002926/inputs/seq.fa: 2
curr_seq: _UUGUAAUUCUUGAAAGGUUAAUUGCACUAUUUAUAGACCAAACUGUAAAGCAAAAACCCUCAGCGUGACCCUUCAGGGUCACCGUAGUAAUAGCAACCUCAGUGGAGACCUGACCAGUCAUGAAUUACUGUCUGUGAUACUGAGAAUGCUGACAGUUCAAUCACAGCACUGUUUCAAUAGAGAACUCCUAUAUUUAAAGCGCUGAUACUGUUUUCCCUCUAAAUGACAGGCUUGACAGAUGGGCCAAAAGCACCGCAGACGUUUGAACAAGGAAAUAG_
curr_seq: _AGAGGGAGCCUGC_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: UUGUAAUUCUUGAAAGGUUAAUUGCACUAUUUAUAGACCAAACUGUAAAGCAAAAACCCUCAGCGUGACCCUUCAGGGUCACCGUAGUAAUAGCAACCUCAGUGGAGACCUGACCAGUCAUGAAUUACUGUCUGUGAUACUGAGAAUGCUGACAGUUCAAUCACAGCACUGUUUCAAUAGAGAACUCCUAUAUUUAAAGCGCUGAUACUGUUUUCCCUCUAAAUGACAGGCUUGACAGAUGGGCCAAAAGCACCGCAGACGUUUGAACAAGGAAAUAG
chainId: B, chainSeq: AGAGGGAGCCUGC
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 278 nucleotides
chain B contains 13 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: 1465
n_atoms_counter: 1465
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 291.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 291.000000 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: -1158.788080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.788080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.788080 (E_RNA)
where:
Base-Base interactions energy: -25.904
where: short stacking energy: -25.904
Base-Backbone interact. energy: -0.000
local terms energy: -1132.884111
where:
bonds (distance) C4'-P energy: -282.729
bonds (distance) P-C4' energy: -262.133
flat angles C4'-P-C4' energy: -213.659
flat angles P-C4'-P energy: -244.404
tors. eta vs tors. theta energy: -129.959
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: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -1158.788080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.788080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.788080 (E_RNA)
where:
Base-Base interactions energy: -25.904
where: short stacking energy: -25.904
Base-Backbone interact. energy: -0.000
local terms energy: -1132.884111
where:
bonds (distance) C4'-P energy: -282.729
bonds (distance) P-C4' energy: -262.133
flat angles C4'-P-C4' energy: -213.659
flat angles P-C4'-P energy: -244.404
tors. eta vs tors. theta energy: -129.959
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: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -1158.788080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.788080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.788080 (E_RNA)
where:
Base-Base interactions energy: -25.904
where: short stacking energy: -25.904
Base-Backbone interact. energy: -0.000
local terms energy: -1132.884111
where:
bonds (distance) C4'-P energy: -282.729
bonds (distance) P-C4' energy: -262.133
flat angles C4'-P-C4' energy: -213.659
flat angles P-C4'-P energy: -244.404
tors. eta vs tors. theta energy: -129.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -1158.788080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.788080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.788080 (E_RNA)
where:
Base-Base interactions energy: -25.904
where: short stacking energy: -25.904
Base-Backbone interact. energy: -0.000
local terms energy: -1132.884111
where:
bonds (distance) C4'-P energy: -282.729
bonds (distance) P-C4' energy: -262.133
flat angles C4'-P-C4' energy: -213.659
flat angles P-C4'-P energy: -244.404
tors. eta vs tors. theta energy: -129.959
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: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -1158.788080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.788080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.788080 (E_RNA)
where:
Base-Base interactions energy: -25.904
where: short stacking energy: -25.904
Base-Backbone interact. energy: -0.000
local terms energy: -1132.884111
where:
bonds (distance) C4'-P energy: -282.729
bonds (distance) P-C4' energy: -262.133
flat angles C4'-P-C4' energy: -213.659
flat angles P-C4'-P energy: -244.404
tors. eta vs tors. theta energy: -129.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -1158.788080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.788080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.788080 (E_RNA)
where:
Base-Base interactions energy: -25.904
where: short stacking energy: -25.904
Base-Backbone interact. energy: -0.000
local terms energy: -1132.884111
where:
bonds (distance) C4'-P energy: -282.729
bonds (distance) P-C4' energy: -262.133
flat angles C4'-P-C4' energy: -213.659
flat angles P-C4'-P energy: -244.404
tors. eta vs tors. theta energy: -129.959
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: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -1158.788080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.788080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.788080 (E_RNA)
where:
Base-Base interactions energy: -25.904
where: short stacking energy: -25.904
Base-Backbone interact. energy: -0.000
local terms energy: -1132.884111
where:
bonds (distance) C4'-P energy: -282.729
bonds (distance) P-C4' energy: -262.133
flat angles C4'-P-C4' energy: -213.659
flat angles P-C4'-P energy: -244.404
tors. eta vs tors. theta energy: -129.959
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: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -1158.788080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.788080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.788080 (E_RNA)
where:
Base-Base interactions energy: -25.904
where: short stacking energy: -25.904
Base-Backbone interact. energy: -0.000
local terms energy: -1132.884111
where:
bonds (distance) C4'-P energy: -282.729
bonds (distance) P-C4' energy: -262.133
flat angles C4'-P-C4' energy: -213.659
flat angles P-C4'-P energy: -244.404
tors. eta vs tors. theta energy: -129.959
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: 1
Temperature: 1.300000
Total energy: -1158.788080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.788080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.788080 (E_RNA)
where:
Base-Base interactions energy: -25.904
where: short stacking energy: -25.904
Base-Backbone interact. energy: -0.000
local terms energy: -1132.884111
where:
bonds (distance) C4'-P energy: -282.729
bonds (distance) P-C4' energy: -262.133
flat angles C4'-P-C4' energy: -213.659
flat angles P-C4'-P energy: -244.404
tors. eta vs tors. theta energy: -129.959
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: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -1158.788080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.788080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.788080 (E_RNA)
where:
Base-Base interactions energy: -25.904
where: short stacking energy: -25.904
Base-Backbone interact. energy: -0.000
local terms energy: -1132.884111
where:
bonds (distance) C4'-P energy: -282.729
bonds (distance) P-C4' energy: -262.133
flat angles C4'-P-C4' energy: -213.659
flat angles P-C4'-P energy: -244.404
tors. eta vs tors. theta energy: -129.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -1349.756563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.756563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.756563 (E_RNA)
where:
Base-Base interactions energy: -535.704
where: short stacking energy: -532.898
Base-Backbone interact. energy: -0.116
local terms energy: -813.936575
where:
bonds (distance) C4'-P energy: -182.038
bonds (distance) P-C4' energy: -202.023
flat angles C4'-P-C4' energy: -179.738
flat angles P-C4'-P energy: -101.466
tors. eta vs tors. theta energy: -148.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -1304.154562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.154562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.154562 (E_RNA)
where:
Base-Base interactions energy: -516.572
where: short stacking energy: -492.619
Base-Backbone interact. energy: -0.779
local terms energy: -786.803980
where:
bonds (distance) C4'-P energy: -181.255
bonds (distance) P-C4' energy: -199.209
flat angles C4'-P-C4' energy: -179.905
flat angles P-C4'-P energy: -87.728
tors. eta vs tors. theta energy: -138.706
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: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -1187.176929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.176929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.176929 (E_RNA)
where:
Base-Base interactions energy: -457.127
where: short stacking energy: -448.753
Base-Backbone interact. energy: -0.193
local terms energy: -729.857742
where:
bonds (distance) C4'-P energy: -184.491
bonds (distance) P-C4' energy: -178.730
flat angles C4'-P-C4' energy: -158.674
flat angles P-C4'-P energy: -97.535
tors. eta vs tors. theta energy: -110.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -1170.663012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.663012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.663012 (E_RNA)
where:
Base-Base interactions energy: -42.887
where: short stacking energy: -42.887
Base-Backbone interact. energy: -0.000
local terms energy: -1127.775779
where:
bonds (distance) C4'-P energy: -281.081
bonds (distance) P-C4' energy: -258.346
flat angles C4'-P-C4' energy: -213.707
flat angles P-C4'-P energy: -243.272
tors. eta vs tors. theta energy: -131.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -1171.332150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.332150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.332150 (E_RNA)
where:
Base-Base interactions energy: -44.677
where: short stacking energy: -44.677
Base-Backbone interact. energy: -0.000
local terms energy: -1126.655044
where:
bonds (distance) C4'-P energy: -281.081
bonds (distance) P-C4' energy: -257.631
flat angles C4'-P-C4' energy: -213.301
flat angles P-C4'-P energy: -243.272
tors. eta vs tors. theta energy: -131.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -1171.898086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.898086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.898086 (E_RNA)
where:
Base-Base interactions energy: -48.794
where: short stacking energy: -48.794
Base-Backbone interact. energy: -0.000
local terms energy: -1123.103386
where:
bonds (distance) C4'-P energy: -280.084
bonds (distance) P-C4' energy: -254.219
flat angles C4'-P-C4' energy: -213.636
flat angles P-C4'-P energy: -243.037
tors. eta vs tors. theta energy: -132.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -1173.086439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.086439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.086439 (E_RNA)
where:
Base-Base interactions energy: -99.726
where: short stacking energy: -99.726
Base-Backbone interact. energy: -0.000
local terms energy: -1073.360436
where:
bonds (distance) C4'-P energy: -248.695
bonds (distance) P-C4' energy: -234.298
flat angles C4'-P-C4' energy: -215.048
flat angles P-C4'-P energy: -233.808
tors. eta vs tors. theta energy: -141.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -1168.419890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.419890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.419890 (E_RNA)
where:
Base-Base interactions energy: -35.705
where: short stacking energy: -35.705
Base-Backbone interact. energy: -0.000
local terms energy: -1132.715025
where:
bonds (distance) C4'-P energy: -282.613
bonds (distance) P-C4' energy: -262.126
flat angles C4'-P-C4' energy: -213.607
flat angles P-C4'-P energy: -244.282
tors. eta vs tors. theta energy: -130.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -1168.431914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.431914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.431914 (E_RNA)
where:
Base-Base interactions energy: -35.717
where: short stacking energy: -35.717
Base-Backbone interact. energy: -0.000
local terms energy: -1132.715025
where:
bonds (distance) C4'-P energy: -282.613
bonds (distance) P-C4' energy: -262.126
flat angles C4'-P-C4' energy: -213.607
flat angles P-C4'-P energy: -244.282
tors. eta vs tors. theta energy: -130.087
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: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -1168.786636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.786636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.786636 (E_RNA)
where:
Base-Base interactions energy: -36.071
where: short stacking energy: -36.071
Base-Backbone interact. energy: -0.000
local terms energy: -1132.715025
where:
bonds (distance) C4'-P energy: -282.613
bonds (distance) P-C4' energy: -262.126
flat angles C4'-P-C4' energy: -213.607
flat angles P-C4'-P energy: -244.282
tors. eta vs tors. theta energy: -130.087
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: 3
Temperature: 0.900000
Total energy: -1378.125546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.125546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.125546 (E_RNA)
where:
Base-Base interactions energy: -554.043
where: short stacking energy: -543.773
Base-Backbone interact. energy: -0.403
local terms energy: -823.679104
where:
bonds (distance) C4'-P energy: -170.527
bonds (distance) P-C4' energy: -190.217
flat angles C4'-P-C4' energy: -192.783
flat angles P-C4'-P energy: -126.118
tors. eta vs tors. theta energy: -144.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -1286.459559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.459559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.459559 (E_RNA)
where:
Base-Base interactions energy: -499.388
where: short stacking energy: -491.993
Base-Backbone interact. energy: -0.211
local terms energy: -786.860942
where:
bonds (distance) C4'-P energy: -172.694
bonds (distance) P-C4' energy: -177.065
flat angles C4'-P-C4' energy: -183.814
flat angles P-C4'-P energy: -131.731
tors. eta vs tors. theta energy: -121.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -1245.148158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.148158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.148158 (E_RNA)
where:
Base-Base interactions energy: -502.217
where: short stacking energy: -472.222
Base-Backbone interact. energy: -0.999
local terms energy: -741.931244
where:
bonds (distance) C4'-P energy: -180.027
bonds (distance) P-C4' energy: -180.641
flat angles C4'-P-C4' energy: -171.083
flat angles P-C4'-P energy: -113.088
tors. eta vs tors. theta energy: -97.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -1158.703015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.703015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.703015 (E_RNA)
where:
Base-Base interactions energy: -472.001
where: short stacking energy: -395.691
Base-Backbone interact. energy: 1.254
local terms energy: -687.955665
where:
bonds (distance) C4'-P energy: -171.993
bonds (distance) P-C4' energy: -186.268
flat angles C4'-P-C4' energy: -156.791
flat angles P-C4'-P energy: -104.623
tors. eta vs tors. theta energy: -68.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -1021.608137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.608137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.608137 (E_RNA)
where:
Base-Base interactions energy: -412.070
where: short stacking energy: -404.629
Base-Backbone interact. energy: 0.182
local terms energy: -609.720466
where:
bonds (distance) C4'-P energy: -148.007
bonds (distance) P-C4' energy: -169.341
flat angles C4'-P-C4' energy: -145.331
flat angles P-C4'-P energy: -83.404
tors. eta vs tors. theta energy: -63.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -955.030453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.030453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.030453 (E_RNA)
where:
Base-Base interactions energy: -346.658
where: short stacking energy: -321.894
Base-Backbone interact. energy: -0.817
local terms energy: -607.554618
where:
bonds (distance) C4'-P energy: -147.289
bonds (distance) P-C4' energy: -168.281
flat angles C4'-P-C4' energy: -145.428
flat angles P-C4'-P energy: -89.691
tors. eta vs tors. theta energy: -56.866
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: 7
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -840.149355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.149355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.149355 (E_RNA)
where:
Base-Base interactions energy: -274.944
where: short stacking energy: -263.706
Base-Backbone interact. energy: -1.508
local terms energy: -563.697523
where:
bonds (distance) C4'-P energy: -163.154
bonds (distance) P-C4' energy: -157.379
flat angles C4'-P-C4' energy: -136.368
flat angles P-C4'-P energy: -89.444
tors. eta vs tors. theta energy: -17.353
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: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -810.448995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.448995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.448995 (E_RNA)
where:
Base-Base interactions energy: -278.759
where: short stacking energy: -244.801
Base-Backbone interact. energy: -2.630
local terms energy: -529.060399
where:
bonds (distance) C4'-P energy: -156.683
bonds (distance) P-C4' energy: -147.346
flat angles C4'-P-C4' energy: -149.081
flat angles P-C4'-P energy: -61.674
tors. eta vs tors. theta energy: -14.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -740.865755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.865755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.865755 (E_RNA)
where:
Base-Base interactions energy: -252.387
where: short stacking energy: -229.073
Base-Backbone interact. energy: -0.808
local terms energy: -487.670583
where:
bonds (distance) C4'-P energy: -140.703
bonds (distance) P-C4' energy: -162.029
flat angles C4'-P-C4' energy: -121.504
flat angles P-C4'-P energy: -50.183
tors. eta vs tors. theta energy: -13.251
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: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -672.078719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.078719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.078719 (E_RNA)
where:
Base-Base interactions energy: -219.807
where: short stacking energy: -182.650
Base-Backbone interact. energy: 2.055
local terms energy: -454.327522
where:
bonds (distance) C4'-P energy: -128.653
bonds (distance) P-C4' energy: -155.750
flat angles C4'-P-C4' energy: -108.712
flat angles P-C4'-P energy: -74.541
tors. eta vs tors. theta energy: 13.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -1388.101395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.101395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.101395 (E_RNA)
where:
Base-Base interactions energy: -567.920
where: short stacking energy: -554.953
Base-Backbone interact. energy: -0.736
local terms energy: -819.445107
where:
bonds (distance) C4'-P energy: -182.809
bonds (distance) P-C4' energy: -182.208
flat angles C4'-P-C4' energy: -183.371
flat angles P-C4'-P energy: -121.262
tors. eta vs tors. theta energy: -149.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -1327.530307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.530307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.530307 (E_RNA)
where:
Base-Base interactions energy: -546.857
where: short stacking energy: -529.947
Base-Backbone interact. energy: -1.354
local terms energy: -779.319493
where:
bonds (distance) C4'-P energy: -178.152
bonds (distance) P-C4' energy: -180.307
flat angles C4'-P-C4' energy: -178.948
flat angles P-C4'-P energy: -114.879
tors. eta vs tors. theta energy: -127.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -1291.170791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.170791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.170791 (E_RNA)
where:
Base-Base interactions energy: -572.350
where: short stacking energy: -487.776
Base-Backbone interact. energy: 2.108
local terms energy: -720.929009
where:
bonds (distance) C4'-P energy: -160.994
bonds (distance) P-C4' energy: -187.728
flat angles C4'-P-C4' energy: -157.796
flat angles P-C4'-P energy: -105.462
tors. eta vs tors. theta energy: -108.949
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: 4
Temperature: 1.050000
Total energy: -1130.674972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.674972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.674972 (E_RNA)
where:
Base-Base interactions energy: -473.721
where: short stacking energy: -432.661
Base-Backbone interact. energy: -1.277
local terms energy: -655.676223
where:
bonds (distance) C4'-P energy: -161.463
bonds (distance) P-C4' energy: -163.978
flat angles C4'-P-C4' energy: -158.460
flat angles P-C4'-P energy: -91.910
tors. eta vs tors. theta energy: -79.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -1041.666608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.666608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.666608 (E_RNA)
where:
Base-Base interactions energy: -369.223
where: short stacking energy: -354.151
Base-Backbone interact. energy: -0.315
local terms energy: -672.128359
where:
bonds (distance) C4'-P energy: -170.563
bonds (distance) P-C4' energy: -178.559
flat angles C4'-P-C4' energy: -167.802
flat angles P-C4'-P energy: -102.655
tors. eta vs tors. theta energy: -52.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -924.020568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.020568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.020568 (E_RNA)
where:
Base-Base interactions energy: -315.860
where: short stacking energy: -286.389
Base-Backbone interact. energy: -1.452
local terms energy: -606.708715
where:
bonds (distance) C4'-P energy: -153.790
bonds (distance) P-C4' energy: -171.656
flat angles C4'-P-C4' energy: -159.224
flat angles P-C4'-P energy: -102.589
tors. eta vs tors. theta energy: -19.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -864.501635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.501635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.501635 (E_RNA)
where:
Base-Base interactions energy: -309.622
where: short stacking energy: -276.689
Base-Backbone interact. energy: -2.194
local terms energy: -552.686330
where:
bonds (distance) C4'-P energy: -142.573
bonds (distance) P-C4' energy: -161.747
flat angles C4'-P-C4' energy: -152.841
flat angles P-C4'-P energy: -84.026
tors. eta vs tors. theta energy: -11.500
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: 8, replica: 9
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -852.401457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.401457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.401457 (E_RNA)
where:
Base-Base interactions energy: -286.039
where: short stacking energy: -226.995
Base-Backbone interact. energy: -2.929
local terms energy: -563.433735
where:
bonds (distance) C4'-P energy: -173.206
bonds (distance) P-C4' energy: -158.481
flat angles C4'-P-C4' energy: -137.038
flat angles P-C4'-P energy: -95.100
tors. eta vs tors. theta energy: 0.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -746.217624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.217624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.217624 (E_RNA)
where:
Base-Base interactions energy: -247.125
where: short stacking energy: -209.172
Base-Backbone interact. energy: 1.406
local terms energy: -500.498208
where:
bonds (distance) C4'-P energy: -154.879
bonds (distance) P-C4' energy: -157.307
flat angles C4'-P-C4' energy: -113.833
flat angles P-C4'-P energy: -91.600
tors. eta vs tors. theta energy: 17.121
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: 8
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -666.813862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.813862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.813862 (E_RNA)
where:
Base-Base interactions energy: -224.336
where: short stacking energy: -174.297
Base-Backbone interact. energy: -1.973
local terms energy: -440.505086
where:
bonds (distance) C4'-P energy: -153.002
bonds (distance) P-C4' energy: -146.611
flat angles C4'-P-C4' energy: -144.898
flat angles P-C4'-P energy: -40.451
tors. eta vs tors. theta energy: 44.457
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: 5
Temperature: 0.900000
Total energy: -1431.812653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.812653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.812653 (E_RNA)
where:
Base-Base interactions energy: -649.375
where: short stacking energy: -584.190
Base-Backbone interact. energy: -0.628
local terms energy: -781.808941
where:
bonds (distance) C4'-P energy: -175.371
bonds (distance) P-C4' energy: -178.913
flat angles C4'-P-C4' energy: -189.252
flat angles P-C4'-P energy: -99.061
tors. eta vs tors. theta energy: -139.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -1328.031820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.031820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.031820 (E_RNA)
where:
Base-Base interactions energy: -539.260
where: short stacking energy: -510.842
Base-Backbone interact. energy: -0.945
local terms energy: -787.826114
where:
bonds (distance) C4'-P energy: -178.962
bonds (distance) P-C4' energy: -179.912
flat angles C4'-P-C4' energy: -193.468
flat angles P-C4'-P energy: -110.446
tors. eta vs tors. theta energy: -125.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -1293.277013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.277013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.277013 (E_RNA)
where:
Base-Base interactions energy: -613.217
where: short stacking energy: -459.178
Base-Backbone interact. energy: -1.996
local terms energy: -678.063440
where:
bonds (distance) C4'-P energy: -162.011
bonds (distance) P-C4' energy: -171.038
flat angles C4'-P-C4' energy: -168.367
flat angles P-C4'-P energy: -87.824
tors. eta vs tors. theta energy: -88.823
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: 4, replica: 4
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -1232.386735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.386735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.386735 (E_RNA)
where:
Base-Base interactions energy: -596.952
where: short stacking energy: -436.011
Base-Backbone interact. energy: -0.281
local terms energy: -635.153562
where:
bonds (distance) C4'-P energy: -158.092
bonds (distance) P-C4' energy: -160.550
flat angles C4'-P-C4' energy: -156.069
flat angles P-C4'-P energy: -85.533
tors. eta vs tors. theta energy: -74.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -1012.145117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.145117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.145117 (E_RNA)
where:
Base-Base interactions energy: -388.365
where: short stacking energy: -367.107
Base-Backbone interact. energy: 2.346
local terms energy: -626.126534
where:
bonds (distance) C4'-P energy: -166.764
bonds (distance) P-C4' energy: -157.293
flat angles C4'-P-C4' energy: -154.289
flat angles P-C4'-P energy: -97.273
tors. eta vs tors. theta energy: -50.508
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: 7
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -936.825083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.825083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.825083 (E_RNA)
where:
Base-Base interactions energy: -360.710
where: short stacking energy: -306.246
Base-Backbone interact. energy: 0.503
local terms energy: -576.618726
where:
bonds (distance) C4'-P energy: -139.893
bonds (distance) P-C4' energy: -170.947
flat angles C4'-P-C4' energy: -129.412
flat angles P-C4'-P energy: -97.452
tors. eta vs tors. theta energy: -38.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -916.874166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.874166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.874166 (E_RNA)
where:
Base-Base interactions energy: -376.508
where: short stacking energy: -302.235
Base-Backbone interact. energy: 5.857
local terms energy: -546.223215
where:
bonds (distance) C4'-P energy: -154.470
bonds (distance) P-C4' energy: -162.909
flat angles C4'-P-C4' energy: -125.168
flat angles P-C4'-P energy: -92.384
tors. eta vs tors. theta energy: -11.292
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: 9
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -801.586835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.586835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.586835 (E_RNA)
where:
Base-Base interactions energy: -308.639
where: short stacking energy: -243.928
Base-Backbone interact. energy: 6.241
local terms energy: -499.189016
where:
bonds (distance) C4'-P energy: -140.712
bonds (distance) P-C4' energy: -157.546
flat angles C4'-P-C4' energy: -132.816
flat angles P-C4'-P energy: -80.241
tors. eta vs tors. theta energy: 12.125
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: 10
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -674.407756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.407756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.407756 (E_RNA)
where:
Base-Base interactions energy: -215.619
where: short stacking energy: -196.397
Base-Backbone interact. energy: 2.946
local terms energy: -461.734633
where:
bonds (distance) C4'-P energy: -128.376
bonds (distance) P-C4' energy: -159.313
flat angles C4'-P-C4' energy: -125.999
flat angles P-C4'-P energy: -90.153
tors. eta vs tors. theta energy: 42.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -645.154268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.154268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.154268 (E_RNA)
where:
Base-Base interactions energy: -241.932
where: short stacking energy: -195.867
Base-Backbone interact. energy: -0.584
local terms energy: -402.638977
where:
bonds (distance) C4'-P energy: -141.572
bonds (distance) P-C4' energy: -131.090
flat angles C4'-P-C4' energy: -118.718
flat angles P-C4'-P energy: -53.867
tors. eta vs tors. theta energy: 42.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -1465.130221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.130221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.130221 (E_RNA)
where:
Base-Base interactions energy: -673.150
where: short stacking energy: -595.129
Base-Backbone interact. energy: -0.653
local terms energy: -791.327446
where:
bonds (distance) C4'-P energy: -186.267
bonds (distance) P-C4' energy: -166.874
flat angles C4'-P-C4' energy: -177.515
flat angles P-C4'-P energy: -123.727
tors. eta vs tors. theta energy: -136.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -1385.058618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.058618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.058618 (E_RNA)
where:
Base-Base interactions energy: -624.292
where: short stacking energy: -546.632
Base-Backbone interact. energy: -0.846
local terms energy: -759.920623
where:
bonds (distance) C4'-P energy: -169.823
bonds (distance) P-C4' energy: -160.920
flat angles C4'-P-C4' energy: -168.867
flat angles P-C4'-P energy: -122.163
tors. eta vs tors. theta energy: -138.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -1375.412963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.412963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.412963 (E_RNA)
where:
Base-Base interactions energy: -627.937
where: short stacking energy: -475.355
Base-Backbone interact. energy: -0.992
local terms energy: -746.483817
where:
bonds (distance) C4'-P energy: -158.801
bonds (distance) P-C4' energy: -174.355
flat angles C4'-P-C4' energy: -190.067
flat angles P-C4'-P energy: -106.848
tors. eta vs tors. theta energy: -116.413
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: 4
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -1235.777543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.777543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.777543 (E_RNA)
where:
Base-Base interactions energy: -555.004
where: short stacking energy: -413.750
Base-Backbone interact. energy: -3.123
local terms energy: -677.650936
where:
bonds (distance) C4'-P energy: -156.046
bonds (distance) P-C4' energy: -179.519
flat angles C4'-P-C4' energy: -155.523
flat angles P-C4'-P energy: -108.534
tors. eta vs tors. theta energy: -78.030
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: 3
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -1003.312050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.312050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.312050 (E_RNA)
where:
Base-Base interactions energy: -391.479
where: short stacking energy: -356.830
Base-Backbone interact. energy: -1.707
local terms energy: -610.125715
where:
bonds (distance) C4'-P energy: -171.222
bonds (distance) P-C4' energy: -161.600
flat angles C4'-P-C4' energy: -144.187
flat angles P-C4'-P energy: -81.378
tors. eta vs tors. theta energy: -51.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -1021.466359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.466359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.466359 (E_RNA)
where:
Base-Base interactions energy: -431.753
where: short stacking energy: -304.362
Base-Backbone interact. energy: 0.111
local terms energy: -589.824382
where:
bonds (distance) C4'-P energy: -149.312
bonds (distance) P-C4' energy: -174.802
flat angles C4'-P-C4' energy: -126.086
flat angles P-C4'-P energy: -110.284
tors. eta vs tors. theta energy: -29.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -928.555097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.555097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.555097 (E_RNA)
where:
Base-Base interactions energy: -357.835
where: short stacking energy: -267.550
Base-Backbone interact. energy: -0.874
local terms energy: -569.845742
where:
bonds (distance) C4'-P energy: -169.193
bonds (distance) P-C4' energy: -151.750
flat angles C4'-P-C4' energy: -154.256
flat angles P-C4'-P energy: -70.988
tors. eta vs tors. theta energy: -23.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -825.409987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.409987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.409987 (E_RNA)
where:
Base-Base interactions energy: -332.598
where: short stacking energy: -247.098
Base-Backbone interact. energy: 0.122
local terms energy: -492.934666
where:
bonds (distance) C4'-P energy: -136.929
bonds (distance) P-C4' energy: -147.404
flat angles C4'-P-C4' energy: -123.991
flat angles P-C4'-P energy: -81.235
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: 10
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -704.870065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.870065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.870065 (E_RNA)
where:
Base-Base interactions energy: -262.352
where: short stacking energy: -216.606
Base-Backbone interact. energy: 3.732
local terms energy: -446.250178
where:
bonds (distance) C4'-P energy: -125.371
bonds (distance) P-C4' energy: -162.965
flat angles C4'-P-C4' energy: -110.248
flat angles P-C4'-P energy: -70.104
tors. eta vs tors. theta energy: 22.437
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: 10, replica: 8
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -656.939142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.939142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.939142 (E_RNA)
where:
Base-Base interactions energy: -210.678
where: short stacking energy: -171.270
Base-Backbone interact. energy: 2.097
local terms energy: -448.358207
where:
bonds (distance) C4'-P energy: -140.075
bonds (distance) P-C4' energy: -159.504
flat angles C4'-P-C4' energy: -112.749
flat angles P-C4'-P energy: -66.519
tors. eta vs tors. theta energy: 30.488
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: 1
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -1496.462110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.462110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.462110 (E_RNA)
where:
Base-Base interactions energy: -692.073
where: short stacking energy: -565.669
Base-Backbone interact. energy: -3.117
local terms energy: -801.272149
where:
bonds (distance) C4'-P energy: -196.250
bonds (distance) P-C4' energy: -185.522
flat angles C4'-P-C4' energy: -171.985
flat angles P-C4'-P energy: -115.904
tors. eta vs tors. theta energy: -131.612
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: 2
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -1382.045298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.045298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.045298 (E_RNA)
where:
Base-Base interactions energy: -596.066
where: short stacking energy: -497.944
Base-Backbone interact. energy: 2.055
local terms energy: -788.034417
where:
bonds (distance) C4'-P energy: -181.895
bonds (distance) P-C4' energy: -187.097
flat angles C4'-P-C4' energy: -197.257
flat angles P-C4'-P energy: -116.005
tors. eta vs tors. theta energy: -105.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -1397.285424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.285424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.285424 (E_RNA)
where:
Base-Base interactions energy: -676.486
where: short stacking energy: -437.918
Base-Backbone interact. energy: -1.915
local terms energy: -718.884080
where:
bonds (distance) C4'-P energy: -167.536
bonds (distance) P-C4' energy: -183.588
flat angles C4'-P-C4' energy: -165.408
flat angles P-C4'-P energy: -93.847
tors. eta vs tors. theta energy: -108.505
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: 4, replica: 4
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -1216.816387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.816387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.816387 (E_RNA)
where:
Base-Base interactions energy: -530.250
where: short stacking energy: -408.363
Base-Backbone interact. energy: -3.687
local terms energy: -682.878997
where:
bonds (distance) C4'-P energy: -184.054
bonds (distance) P-C4' energy: -167.325
flat angles C4'-P-C4' energy: -144.431
flat angles P-C4'-P energy: -111.013
tors. eta vs tors. theta energy: -76.056
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: 3
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -1029.962208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.962208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.962208 (E_RNA)
where:
Base-Base interactions energy: -444.774
where: short stacking energy: -375.327
Base-Backbone interact. energy: 1.515
local terms energy: -586.703137
where:
bonds (distance) C4'-P energy: -143.407
bonds (distance) P-C4' energy: -165.148
flat angles C4'-P-C4' energy: -132.970
flat angles P-C4'-P energy: -95.863
tors. eta vs tors. theta energy: -49.316
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: 7
Temperature: 1.150000
Total energy: -1020.011728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.011728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.011728 (E_RNA)
where:
Base-Base interactions energy: -420.522
where: short stacking energy: -298.110
Base-Backbone interact. energy: -2.295
local terms energy: -597.194509
where:
bonds (distance) C4'-P energy: -153.839
bonds (distance) P-C4' energy: -171.340
flat angles C4'-P-C4' energy: -124.923
flat angles P-C4'-P energy: -105.244
tors. eta vs tors. theta energy: -41.848
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: 7, replica: 7
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -930.554104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.554104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.554104 (E_RNA)
where:
Base-Base interactions energy: -395.763
where: short stacking energy: -311.458
Base-Backbone interact. energy: -1.518
local terms energy: -533.273307
where:
bonds (distance) C4'-P energy: -163.942
bonds (distance) P-C4' energy: -146.466
flat angles C4'-P-C4' energy: -132.391
flat angles P-C4'-P energy: -78.657
tors. eta vs tors. theta energy: -11.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -817.342599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.342599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.342599 (E_RNA)
where:
Base-Base interactions energy: -317.222
where: short stacking energy: -255.269
Base-Backbone interact. energy: 5.060
local terms energy: -505.181455
where:
bonds (distance) C4'-P energy: -139.752
bonds (distance) P-C4' energy: -156.582
flat angles C4'-P-C4' energy: -139.801
flat angles P-C4'-P energy: -70.703
tors. eta vs tors. theta energy: 1.656
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: 7
Temperature: 1.300000
Total energy: -828.867327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.867327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.867327 (E_RNA)
where:
Base-Base interactions energy: -353.645
where: short stacking energy: -232.920
Base-Backbone interact. energy: -2.775
local terms energy: -472.447587
where:
bonds (distance) C4'-P energy: -142.457
bonds (distance) P-C4' energy: -137.878
flat angles C4'-P-C4' energy: -144.477
flat angles P-C4'-P energy: -55.655
tors. eta vs tors. theta energy: 8.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -669.241187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.241187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.241187 (E_RNA)
where:
Base-Base interactions energy: -209.711
where: short stacking energy: -179.521
Base-Backbone interact. energy: 0.003
local terms energy: -460.390673
where:
bonds (distance) C4'-P energy: -146.362
bonds (distance) P-C4' energy: -158.421
flat angles C4'-P-C4' energy: -134.814
flat angles P-C4'-P energy: -48.130
tors. eta vs tors. theta energy: 27.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.858 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -1582.579599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.579599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.579599 (E_RNA)
where:
Base-Base interactions energy: -768.786
where: short stacking energy: -624.890
Base-Backbone interact. energy: 0.828
local terms energy: -814.621139
where:
bonds (distance) C4'-P energy: -178.905
bonds (distance) P-C4' energy: -192.379
flat angles C4'-P-C4' energy: -183.842
flat angles P-C4'-P energy: -118.302
tors. eta vs tors. theta energy: -141.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -1458.098358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.098358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.098358 (E_RNA)
where:
Base-Base interactions energy: -678.920
where: short stacking energy: -520.089
Base-Backbone interact. energy: -0.014
local terms energy: -779.164974
where:
bonds (distance) C4'-P energy: -170.918
bonds (distance) P-C4' energy: -179.177
flat angles C4'-P-C4' energy: -186.332
flat angles P-C4'-P energy: -120.437
tors. eta vs tors. theta energy: -122.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -1454.764500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.764500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1454.764500 (E_RNA)
where:
Base-Base interactions energy: -717.310
where: short stacking energy: -490.529
Base-Backbone interact. energy: -2.286
local terms energy: -735.168564
where:
bonds (distance) C4'-P energy: -168.458
bonds (distance) P-C4' energy: -186.675
flat angles C4'-P-C4' energy: -185.514
flat angles P-C4'-P energy: -92.623
tors. eta vs tors. theta energy: -101.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -1310.514637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.514637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.514637 (E_RNA)
where:
Base-Base interactions energy: -610.607
where: short stacking energy: -459.186
Base-Backbone interact. energy: 1.525
local terms energy: -701.432908
where:
bonds (distance) C4'-P energy: -169.742
bonds (distance) P-C4' energy: -177.294
flat angles C4'-P-C4' energy: -168.496
flat angles P-C4'-P energy: -87.093
tors. eta vs tors. theta energy: -98.808
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: 6
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -1202.461145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.461145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.461145 (E_RNA)
where:
Base-Base interactions energy: -602.894
where: short stacking energy: -396.616
Base-Backbone interact. energy: -2.388
local terms energy: -597.179505
where:
bonds (distance) C4'-P energy: -152.154
bonds (distance) P-C4' energy: -154.796
flat angles C4'-P-C4' energy: -144.029
flat angles P-C4'-P energy: -96.111
tors. eta vs tors. theta energy: -50.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -949.029785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.029785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.029785 (E_RNA)
where:
Base-Base interactions energy: -399.387
where: short stacking energy: -337.317
Base-Backbone interact. energy: -2.588
local terms energy: -547.054867
where:
bonds (distance) C4'-P energy: -145.851
bonds (distance) P-C4' energy: -162.793
flat angles C4'-P-C4' energy: -139.086
flat angles P-C4'-P energy: -82.355
tors. eta vs tors. theta energy: -16.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -878.313507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.313507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.313507 (E_RNA)
where:
Base-Base interactions energy: -350.897
where: short stacking energy: -282.117
Base-Backbone interact. energy: -1.312
local terms energy: -526.105160
where:
bonds (distance) C4'-P energy: -148.412
bonds (distance) P-C4' energy: -165.579
flat angles C4'-P-C4' energy: -149.828
flat angles P-C4'-P energy: -68.169
tors. eta vs tors. theta energy: 5.882
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: 8
Temperature: 1.250000
Total energy: -823.738367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.738367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.738367 (E_RNA)
where:
Base-Base interactions energy: -333.417
where: short stacking energy: -231.165
Base-Backbone interact. energy: 2.438
local terms energy: -492.759478
where:
bonds (distance) C4'-P energy: -134.001
bonds (distance) P-C4' energy: -151.982
flat angles C4'-P-C4' energy: -129.449
flat angles P-C4'-P energy: -67.728
tors. eta vs tors. theta energy: -9.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -770.342386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.342386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.342386 (E_RNA)
where:
Base-Base interactions energy: -280.804
where: short stacking energy: -197.815
Base-Backbone interact. energy: -3.250
local terms energy: -486.288195
where:
bonds (distance) C4'-P energy: -167.586
bonds (distance) P-C4' energy: -152.544
flat angles C4'-P-C4' energy: -132.232
flat angles P-C4'-P energy: -70.820
tors. eta vs tors. theta energy: 36.894
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: 8
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -639.749589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.749589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.749589 (E_RNA)
where:
Base-Base interactions energy: -220.548
where: short stacking energy: -140.656
Base-Backbone interact. energy: -0.109
local terms energy: -419.092585
where:
bonds (distance) C4'-P energy: -135.133
bonds (distance) P-C4' energy: -150.362
flat angles C4'-P-C4' energy: -116.855
flat angles P-C4'-P energy: -74.775
tors. eta vs tors. theta energy: 58.033
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: 9
Temperature: 0.900000
Total energy: -1578.251892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.251892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.251892 (E_RNA)
where:
Base-Base interactions energy: -774.441
where: short stacking energy: -585.830
Base-Backbone interact. energy: -1.566
local terms energy: -802.244087
where:
bonds (distance) C4'-P energy: -184.170
bonds (distance) P-C4' energy: -180.764
flat angles C4'-P-C4' energy: -191.209
flat angles P-C4'-P energy: -118.995
tors. eta vs tors. theta energy: -127.105
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: 2, replica: 5
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -1604.916816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.916816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.916816 (E_RNA)
where:
Base-Base interactions energy: -831.261
where: short stacking energy: -579.602
Base-Backbone interact. energy: -0.008
local terms energy: -773.647755
where:
bonds (distance) C4'-P energy: -166.886
bonds (distance) P-C4' energy: -179.242
flat angles C4'-P-C4' energy: -173.959
flat angles P-C4'-P energy: -122.524
tors. eta vs tors. theta energy: -131.037
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: 2
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -1363.249266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.249266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.249266 (E_RNA)
where:
Base-Base interactions energy: -632.077
where: short stacking energy: -442.173
Base-Backbone interact. energy: 2.263
local terms energy: -733.435608
where:
bonds (distance) C4'-P energy: -179.156
bonds (distance) P-C4' energy: -180.279
flat angles C4'-P-C4' energy: -168.138
flat angles P-C4'-P energy: -105.457
tors. eta vs tors. theta energy: -100.405
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: 4, replica: 6
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -1422.939045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.939045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.939045 (E_RNA)
where:
Base-Base interactions energy: -736.192
where: short stacking energy: -454.274
Base-Backbone interact. energy: -3.165
local terms energy: -683.581730
where:
bonds (distance) C4'-P energy: -154.837
bonds (distance) P-C4' energy: -171.153
flat angles C4'-P-C4' energy: -164.016
flat angles P-C4'-P energy: -108.071
tors. eta vs tors. theta energy: -85.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -1215.462633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.462633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.462633 (E_RNA)
where:
Base-Base interactions energy: -595.814
where: short stacking energy: -428.126
Base-Backbone interact. energy: -0.223
local terms energy: -619.425467
where:
bonds (distance) C4'-P energy: -140.539
bonds (distance) P-C4' energy: -147.252
flat angles C4'-P-C4' energy: -155.706
flat angles P-C4'-P energy: -105.337
tors. eta vs tors. theta energy: -70.591
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: 6, replica: 7
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -1048.064458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.064458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.064458 (E_RNA)
where:
Base-Base interactions energy: -447.480
where: short stacking energy: -326.462
Base-Backbone interact. energy: -3.117
local terms energy: -597.467336
where:
bonds (distance) C4'-P energy: -158.182
bonds (distance) P-C4' energy: -163.863
flat angles C4'-P-C4' energy: -161.730
flat angles P-C4'-P energy: -70.066
tors. eta vs tors. theta energy: -43.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -960.760401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.760401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.760401 (E_RNA)
where:
Base-Base interactions energy: -429.517
where: short stacking energy: -323.606
Base-Backbone interact. energy: -1.868
local terms energy: -529.375174
where:
bonds (distance) C4'-P energy: -152.919
bonds (distance) P-C4' energy: -157.612
flat angles C4'-P-C4' energy: -136.707
flat angles P-C4'-P energy: -66.981
tors. eta vs tors. theta energy: -15.156
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: 9
Temperature: 1.250000
Total energy: -822.463737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.463737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.463737 (E_RNA)
where:
Base-Base interactions energy: -331.822
where: short stacking energy: -236.568
Base-Backbone interact. energy: -2.165
local terms energy: -488.477091
where:
bonds (distance) C4'-P energy: -153.119
bonds (distance) P-C4' energy: -171.523
flat angles C4'-P-C4' energy: -106.805
flat angles P-C4'-P energy: -80.831
tors. eta vs tors. theta energy: 23.802
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: 10
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -811.772762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.772762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.772762 (E_RNA)
where:
Base-Base interactions energy: -321.916
where: short stacking energy: -232.564
Base-Backbone interact. energy: -1.020
local terms energy: -488.836742
where:
bonds (distance) C4'-P energy: -129.812
bonds (distance) P-C4' energy: -151.042
flat angles C4'-P-C4' energy: -103.189
flat angles P-C4'-P energy: -105.924
tors. eta vs tors. theta energy: 1.130
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: 8
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -674.762052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.762052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.762052 (E_RNA)
where:
Base-Base interactions energy: -260.700
where: short stacking energy: -174.678
Base-Backbone interact. energy: 4.634
local terms energy: -418.696016
where:
bonds (distance) C4'-P energy: -134.346
bonds (distance) P-C4' energy: -138.360
flat angles C4'-P-C4' energy: -109.800
flat angles P-C4'-P energy: -65.994
tors. eta vs tors. theta energy: 29.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -1690.470812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.470812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.470812 (E_RNA)
where:
Base-Base interactions energy: -885.786
where: short stacking energy: -577.186
Base-Backbone interact. energy: -0.859
local terms energy: -803.826724
where:
bonds (distance) C4'-P energy: -175.949
bonds (distance) P-C4' energy: -192.635
flat angles C4'-P-C4' energy: -168.658
flat angles P-C4'-P energy: -121.908
tors. eta vs tors. theta energy: -144.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -1517.176321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.176321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.176321 (E_RNA)
where:
Base-Base interactions energy: -767.779
where: short stacking energy: -560.186
Base-Backbone interact. energy: -0.357
local terms energy: -749.040573
where:
bonds (distance) C4'-P energy: -169.227
bonds (distance) P-C4' energy: -174.824
flat angles C4'-P-C4' energy: -176.019
flat angles P-C4'-P energy: -100.973
tors. eta vs tors. theta energy: -127.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -1408.974770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.974770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.974770 (E_RNA)
where:
Base-Base interactions energy: -688.788
where: short stacking energy: -516.419
Base-Backbone interact. energy: -1.274
local terms energy: -718.912977
where:
bonds (distance) C4'-P energy: -168.668
bonds (distance) P-C4' energy: -171.322
flat angles C4'-P-C4' energy: -172.119
flat angles P-C4'-P energy: -102.009
tors. eta vs tors. theta energy: -104.795
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: 10
Temperature: 1.050000
Total energy: -1502.379582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.379582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1502.379582 (E_RNA)
where:
Base-Base interactions energy: -814.801
where: short stacking energy: -461.492
Base-Backbone interact. energy: -2.653
local terms energy: -684.925605
where:
bonds (distance) C4'-P energy: -161.495
bonds (distance) P-C4' energy: -180.953
flat angles C4'-P-C4' energy: -167.023
flat angles P-C4'-P energy: -86.094
tors. eta vs tors. theta energy: -89.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -1246.206876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.206876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.206876 (E_RNA)
where:
Base-Base interactions energy: -606.344
where: short stacking energy: -398.037
Base-Backbone interact. energy: -0.769
local terms energy: -639.094794
where:
bonds (distance) C4'-P energy: -172.823
bonds (distance) P-C4' energy: -166.556
flat angles C4'-P-C4' energy: -140.489
flat angles P-C4'-P energy: -103.643
tors. eta vs tors. theta energy: -55.583
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: 7
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -1043.190658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.190658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.190658 (E_RNA)
where:
Base-Base interactions energy: -478.959
where: short stacking energy: -323.462
Base-Backbone interact. energy: 4.955
local terms energy: -569.185961
where:
bonds (distance) C4'-P energy: -147.131
bonds (distance) P-C4' energy: -155.637
flat angles C4'-P-C4' energy: -145.115
flat angles P-C4'-P energy: -88.853
tors. eta vs tors. theta energy: -32.450
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: 10
Temperature: 1.200000
Total energy: -940.774140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.774140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.774140 (E_RNA)
where:
Base-Base interactions energy: -370.872
where: short stacking energy: -269.449
Base-Backbone interact. energy: -2.116
local terms energy: -567.785959
where:
bonds (distance) C4'-P energy: -153.840
bonds (distance) P-C4' energy: -153.912
flat angles C4'-P-C4' energy: -147.334
flat angles P-C4'-P energy: -98.726
tors. eta vs tors. theta energy: -13.975
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: 8, replica: 9
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -870.879326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.879326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.879326 (E_RNA)
where:
Base-Base interactions energy: -348.328
where: short stacking energy: -228.231
Base-Backbone interact. energy: -0.123
local terms energy: -522.428882
where:
bonds (distance) C4'-P energy: -150.112
bonds (distance) P-C4' energy: -157.877
flat angles C4'-P-C4' energy: -137.207
flat angles P-C4'-P energy: -93.270
tors. eta vs tors. theta energy: 16.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -766.078190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.078190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.078190 (E_RNA)
where:
Base-Base interactions energy: -307.061
where: short stacking energy: -210.371
Base-Backbone interact. energy: -4.635
local terms energy: -454.382064
where:
bonds (distance) C4'-P energy: -133.800
bonds (distance) P-C4' energy: -147.284
flat angles C4'-P-C4' energy: -125.414
flat angles P-C4'-P energy: -69.794
tors. eta vs tors. theta energy: 21.911
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: 10, replica: 8
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -671.842398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.842398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.842398 (E_RNA)
where:
Base-Base interactions energy: -218.635
where: short stacking energy: -185.804
Base-Backbone interact. energy: 1.133
local terms energy: -454.340500
where:
bonds (distance) C4'-P energy: -143.217
bonds (distance) P-C4' energy: -180.928
flat angles C4'-P-C4' energy: -108.767
flat angles P-C4'-P energy: -59.238
tors. eta vs tors. theta energy: 37.809
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: 1, replica: 5
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -1815.012634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.012634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.012634 (E_RNA)
where:
Base-Base interactions energy: -1001.184
where: short stacking energy: -614.322
Base-Backbone interact. energy: 4.474
local terms energy: -818.303054
where:
bonds (distance) C4'-P energy: -183.978
bonds (distance) P-C4' energy: -178.679
flat angles C4'-P-C4' energy: -182.056
flat angles P-C4'-P energy: -121.555
tors. eta vs tors. theta energy: -152.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -1475.876800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.876800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.876800 (E_RNA)
where:
Base-Base interactions energy: -712.545
where: short stacking energy: -538.445
Base-Backbone interact. energy: 1.657
local terms energy: -764.989273
where:
bonds (distance) C4'-P energy: -176.087
bonds (distance) P-C4' energy: -182.390
flat angles C4'-P-C4' energy: -173.629
flat angles P-C4'-P energy: -111.267
tors. eta vs tors. theta energy: -121.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -1439.550955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.550955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.550955 (E_RNA)
where:
Base-Base interactions energy: -695.309
where: short stacking energy: -488.662
Base-Backbone interact. energy: -1.401
local terms energy: -742.841047
where:
bonds (distance) C4'-P energy: -184.555
bonds (distance) P-C4' energy: -161.934
flat angles C4'-P-C4' energy: -183.915
flat angles P-C4'-P energy: -108.518
tors. eta vs tors. theta energy: -103.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -1639.586742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.586742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.586742 (E_RNA)
where:
Base-Base interactions energy: -937.518
where: short stacking energy: -513.508
Base-Backbone interact. energy: 1.661
local terms energy: -703.729597
where:
bonds (distance) C4'-P energy: -168.983
bonds (distance) P-C4' energy: -170.463
flat angles C4'-P-C4' energy: -175.062
flat angles P-C4'-P energy: -90.784
tors. eta vs tors. theta energy: -98.437
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: 4
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -1289.983798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.983798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.983798 (E_RNA)
where:
Base-Base interactions energy: -615.596
where: short stacking energy: -401.212
Base-Backbone interact. energy: -3.557
local terms energy: -671.896606
where:
bonds (distance) C4'-P energy: -146.183
bonds (distance) P-C4' energy: -162.821
flat angles C4'-P-C4' energy: -176.762
flat angles P-C4'-P energy: -112.682
tors. eta vs tors. theta energy: -73.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.065 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -1022.252351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.252351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.252351 (E_RNA)
where:
Base-Base interactions energy: -443.873
where: short stacking energy: -309.901
Base-Backbone interact. energy: 4.308
local terms energy: -582.686835
where:
bonds (distance) C4'-P energy: -152.262
bonds (distance) P-C4' energy: -169.910
flat angles C4'-P-C4' energy: -144.686
flat angles P-C4'-P energy: -90.764
tors. eta vs tors. theta energy: -25.064
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: 7, replica: 3
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -912.764041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.764041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.764041 (E_RNA)
where:
Base-Base interactions energy: -381.690
where: short stacking energy: -250.961
Base-Backbone interact. energy: 0.778
local terms energy: -531.852018
where:
bonds (distance) C4'-P energy: -154.010
bonds (distance) P-C4' energy: -138.794
flat angles C4'-P-C4' energy: -134.607
flat angles P-C4'-P energy: -89.305
tors. eta vs tors. theta energy: -15.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -838.805740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.805740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.805740 (E_RNA)
where:
Base-Base interactions energy: -373.021
where: short stacking energy: -256.994
Base-Backbone interact. energy: 1.738
local terms energy: -467.522756
where:
bonds (distance) C4'-P energy: -130.547
bonds (distance) P-C4' energy: -149.860
flat angles C4'-P-C4' energy: -115.540
flat angles P-C4'-P energy: -84.411
tors. eta vs tors. theta energy: 12.835
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: 11
Temperature: 1.300000
Total energy: -769.151054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.151054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.151054 (E_RNA)
where:
Base-Base interactions energy: -325.038
where: short stacking energy: -216.581
Base-Backbone interact. energy: 9.651
local terms energy: -453.764179
where:
bonds (distance) C4'-P energy: -119.240
bonds (distance) P-C4' energy: -147.697
flat angles C4'-P-C4' energy: -137.285
flat angles P-C4'-P energy: -79.099
tors. eta vs tors. theta energy: 29.557
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: 8
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -654.894293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.894293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.894293 (E_RNA)
where:
Base-Base interactions energy: -250.415
where: short stacking energy: -191.020
Base-Backbone interact. energy: 1.385
local terms energy: -405.864826
where:
bonds (distance) C4'-P energy: -126.487
bonds (distance) P-C4' energy: -139.947
flat angles C4'-P-C4' energy: -127.565
flat angles P-C4'-P energy: -54.107
tors. eta vs tors. theta energy: 42.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -1834.989546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.989546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.989546 (E_RNA)
where:
Base-Base interactions energy: -1026.014
where: short stacking energy: -670.191
Base-Backbone interact. energy: -0.396
local terms energy: -808.578725
where:
bonds (distance) C4'-P energy: -177.439
bonds (distance) P-C4' energy: -162.001
flat angles C4'-P-C4' energy: -197.564
flat angles P-C4'-P energy: -103.972
tors. eta vs tors. theta energy: -167.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -1646.540571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.540571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.540571 (E_RNA)
where:
Base-Base interactions energy: -841.609
where: short stacking energy: -554.843
Base-Backbone interact. energy: 2.561
local terms energy: -807.492549
where:
bonds (distance) C4'-P energy: -163.294
bonds (distance) P-C4' energy: -187.881
flat angles C4'-P-C4' energy: -194.848
flat angles P-C4'-P energy: -124.564
tors. eta vs tors. theta energy: -136.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -1792.451372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.451372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.451372 (E_RNA)
where:
Base-Base interactions energy: -1034.719
where: short stacking energy: -538.013
Base-Backbone interact. energy: -2.567
local terms energy: -755.165626
where:
bonds (distance) C4'-P energy: -161.102
bonds (distance) P-C4' energy: -178.970
flat angles C4'-P-C4' energy: -179.613
flat angles P-C4'-P energy: -112.014
tors. eta vs tors. theta energy: -123.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -1386.240541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.240541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.240541 (E_RNA)
where:
Base-Base interactions energy: -664.475
where: short stacking energy: -469.698
Base-Backbone interact. energy: -3.114
local terms energy: -718.651867
where:
bonds (distance) C4'-P energy: -153.035
bonds (distance) P-C4' energy: -171.353
flat angles C4'-P-C4' energy: -177.456
flat angles P-C4'-P energy: -114.580
tors. eta vs tors. theta energy: -102.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -1223.737159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.737159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.737159 (E_RNA)
where:
Base-Base interactions energy: -598.014
where: short stacking energy: -352.323
Base-Backbone interact. energy: -2.989
local terms energy: -623.360905
where:
bonds (distance) C4'-P energy: -161.543
bonds (distance) P-C4' energy: -165.543
flat angles C4'-P-C4' energy: -139.026
flat angles P-C4'-P energy: -104.173
tors. eta vs tors. theta energy: -53.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.627 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -1048.943432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.943432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.943432 (E_RNA)
where:
Base-Base interactions energy: -472.152
where: short stacking energy: -340.812
Base-Backbone interact. energy: 4.827
local terms energy: -581.618088
where:
bonds (distance) C4'-P energy: -144.008
bonds (distance) P-C4' energy: -165.934
flat angles C4'-P-C4' energy: -130.535
flat angles P-C4'-P energy: -87.732
tors. eta vs tors. theta energy: -53.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -992.791579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.791579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.791579 (E_RNA)
where:
Base-Base interactions energy: -442.024
where: short stacking energy: -327.001
Base-Backbone interact. energy: 4.839
local terms energy: -555.606383
where:
bonds (distance) C4'-P energy: -145.408
bonds (distance) P-C4' energy: -162.317
flat angles C4'-P-C4' energy: -138.035
flat angles P-C4'-P energy: -70.700
tors. eta vs tors. theta energy: -39.146
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: 10
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -894.548327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.548327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.548327 (E_RNA)
where:
Base-Base interactions energy: -393.425
where: short stacking energy: -282.367
Base-Backbone interact. energy: -2.908
local terms energy: -498.215641
where:
bonds (distance) C4'-P energy: -121.703
bonds (distance) P-C4' energy: -173.005
flat angles C4'-P-C4' energy: -113.384
flat angles P-C4'-P energy: -79.969
tors. eta vs tors. theta energy: -10.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -720.386946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.386946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.386946 (E_RNA)
where:
Base-Base interactions energy: -254.340
where: short stacking energy: -182.256
Base-Backbone interact. energy: 1.459
local terms energy: -467.505630
where:
bonds (distance) C4'-P energy: -129.577
bonds (distance) P-C4' energy: -161.442
flat angles C4'-P-C4' energy: -129.647
flat angles P-C4'-P energy: -74.783
tors. eta vs tors. theta energy: 27.944
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: 9
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -613.470755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.470755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.470755 (E_RNA)
where:
Base-Base interactions energy: -188.636
where: short stacking energy: -143.168
Base-Backbone interact. energy: 0.008
local terms energy: -424.842833
where:
bonds (distance) C4'-P energy: -124.561
bonds (distance) P-C4' energy: -153.339
flat angles C4'-P-C4' energy: -110.526
flat angles P-C4'-P energy: -93.564
tors. eta vs tors. theta energy: 57.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -1912.132635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.132635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.132635 (E_RNA)
where:
Base-Base interactions energy: -1098.313
where: short stacking energy: -643.477
Base-Backbone interact. energy: 2.212
local terms energy: -816.031588
where:
bonds (distance) C4'-P energy: -162.944
bonds (distance) P-C4' energy: -195.275
flat angles C4'-P-C4' energy: -182.916
flat angles P-C4'-P energy: -110.557
tors. eta vs tors. theta energy: -164.339
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: 2, replica: 6
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -2007.920489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.920489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.920489 (E_RNA)
where:
Base-Base interactions energy: -1201.742
where: short stacking energy: -622.803
Base-Backbone interact. energy: -4.976
local terms energy: -801.202614
where:
bonds (distance) C4'-P energy: -172.823
bonds (distance) P-C4' energy: -181.515
flat angles C4'-P-C4' energy: -182.767
flat angles P-C4'-P energy: -113.350
tors. eta vs tors. theta energy: -150.748
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: 1
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -1558.483744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.483744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.483744 (E_RNA)
where:
Base-Base interactions energy: -815.568
where: short stacking energy: -550.034
Base-Backbone interact. energy: -4.096
local terms energy: -738.819781
where:
bonds (distance) C4'-P energy: -177.906
bonds (distance) P-C4' energy: -163.990
flat angles C4'-P-C4' energy: -162.243
flat angles P-C4'-P energy: -105.679
tors. eta vs tors. theta energy: -129.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -1442.390328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.390328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.390328 (E_RNA)
where:
Base-Base interactions energy: -742.824
where: short stacking energy: -460.230
Base-Backbone interact. energy: -2.590
local terms energy: -696.976267
where:
bonds (distance) C4'-P energy: -160.654
bonds (distance) P-C4' energy: -176.257
flat angles C4'-P-C4' energy: -160.720
flat angles P-C4'-P energy: -109.737
tors. eta vs tors. theta energy: -89.609
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: 4
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -1309.927629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.927629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.927629 (E_RNA)
where:
Base-Base interactions energy: -672.063
where: short stacking energy: -421.217
Base-Backbone interact. energy: -2.095
local terms energy: -635.769565
where:
bonds (distance) C4'-P energy: -146.196
bonds (distance) P-C4' energy: -166.946
flat angles C4'-P-C4' energy: -159.135
flat angles P-C4'-P energy: -85.735
tors. eta vs tors. theta energy: -77.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -1145.809364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.809364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.809364 (E_RNA)
where:
Base-Base interactions energy: -563.966
where: short stacking energy: -360.229
Base-Backbone interact. energy: -3.058
local terms energy: -578.785642
where:
bonds (distance) C4'-P energy: -155.943
bonds (distance) P-C4' energy: -152.684
flat angles C4'-P-C4' energy: -137.585
flat angles P-C4'-P energy: -98.198
tors. eta vs tors. theta energy: -34.375
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: 3
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -997.443165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.443165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.443165 (E_RNA)
where:
Base-Base interactions energy: -474.250
where: short stacking energy: -271.988
Base-Backbone interact. energy: 2.678
local terms energy: -525.871314
where:
bonds (distance) C4'-P energy: -158.157
bonds (distance) P-C4' energy: -130.157
flat angles C4'-P-C4' energy: -142.295
flat angles P-C4'-P energy: -71.685
tors. eta vs tors. theta energy: -23.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -935.603947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.603947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.603947 (E_RNA)
where:
Base-Base interactions energy: -431.401
where: short stacking energy: -276.608
Base-Backbone interact. energy: -4.921
local terms energy: -499.282677
where:
bonds (distance) C4'-P energy: -134.086
bonds (distance) P-C4' energy: -147.766
flat angles C4'-P-C4' energy: -136.372
flat angles P-C4'-P energy: -71.945
tors. eta vs tors. theta energy: -9.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -716.049123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.049123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.049123 (E_RNA)
where:
Base-Base interactions energy: -283.330
where: short stacking energy: -210.424
Base-Backbone interact. energy: 1.682
local terms energy: -434.400759
where:
bonds (distance) C4'-P energy: -133.934
bonds (distance) P-C4' energy: -155.996
flat angles C4'-P-C4' energy: -111.092
flat angles P-C4'-P energy: -74.841
tors. eta vs tors. theta energy: 41.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -639.386284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.386284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.386284 (E_RNA)
where:
Base-Base interactions energy: -233.724
where: short stacking energy: -177.398
Base-Backbone interact. energy: -0.836
local terms energy: -404.826867
where:
bonds (distance) C4'-P energy: -140.971
bonds (distance) P-C4' energy: -140.320
flat angles C4'-P-C4' energy: -118.638
flat angles P-C4'-P energy: -44.983
tors. eta vs tors. theta energy: 40.085
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: 5
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -1920.358941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.358941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.358941 (E_RNA)
where:
Base-Base interactions energy: -1109.753
where: short stacking energy: -649.065
Base-Backbone interact. energy: -1.505
local terms energy: -809.100406
where:
bonds (distance) C4'-P energy: -170.571
bonds (distance) P-C4' energy: -187.392
flat angles C4'-P-C4' energy: -182.858
flat angles P-C4'-P energy: -106.419
tors. eta vs tors. theta energy: -161.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -2078.529665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.529665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.529665 (E_RNA)
where:
Base-Base interactions energy: -1299.481
where: short stacking energy: -647.576
Base-Backbone interact. energy: -3.423
local terms energy: -775.625477
where:
bonds (distance) C4'-P energy: -149.972
bonds (distance) P-C4' energy: -185.345
flat angles C4'-P-C4' energy: -176.418
flat angles P-C4'-P energy: -118.594
tors. eta vs tors. theta energy: -145.295
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: 14
Temperature: 1.000000
Total energy: -1573.631368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.631368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.631368 (E_RNA)
where:
Base-Base interactions energy: -858.289
where: short stacking energy: -566.396
Base-Backbone interact. energy: 1.307
local terms energy: -716.649981
where:
bonds (distance) C4'-P energy: -153.159
bonds (distance) P-C4' energy: -166.917
flat angles C4'-P-C4' energy: -171.383
flat angles P-C4'-P energy: -103.770
tors. eta vs tors. theta energy: -121.422
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: 2
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -1465.955638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.955638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.955638 (E_RNA)
where:
Base-Base interactions energy: -786.081
where: short stacking energy: -436.598
Base-Backbone interact. energy: 5.505
local terms energy: -685.379170
where:
bonds (distance) C4'-P energy: -168.677
bonds (distance) P-C4' energy: -180.399
flat angles C4'-P-C4' energy: -151.852
flat angles P-C4'-P energy: -103.007
tors. eta vs tors. theta energy: -81.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -1424.658947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.658947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.658947 (E_RNA)
where:
Base-Base interactions energy: -758.005
where: short stacking energy: -429.594
Base-Backbone interact. energy: 1.454
local terms energy: -668.108912
where:
bonds (distance) C4'-P energy: -161.646
bonds (distance) P-C4' energy: -165.676
flat angles C4'-P-C4' energy: -164.482
flat angles P-C4'-P energy: -94.450
tors. eta vs tors. theta energy: -81.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -1177.230373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.230373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.230373 (E_RNA)
where:
Base-Base interactions energy: -557.709
where: short stacking energy: -366.636
Base-Backbone interact. energy: 4.698
local terms energy: -624.219423
where:
bonds (distance) C4'-P energy: -156.021
bonds (distance) P-C4' energy: -165.686
flat angles C4'-P-C4' energy: -143.998
flat angles P-C4'-P energy: -91.803
tors. eta vs tors. theta energy: -66.712
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: 3
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -1021.741234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.741234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.741234 (E_RNA)
where:
Base-Base interactions energy: -488.958
where: short stacking energy: -289.730
Base-Backbone interact. energy: 4.378
local terms energy: -537.161128
where:
bonds (distance) C4'-P energy: -157.477
bonds (distance) P-C4' energy: -161.252
flat angles C4'-P-C4' energy: -151.211
flat angles P-C4'-P energy: -72.381
tors. eta vs tors. theta energy: 5.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -927.661337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.661337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.661337 (E_RNA)
where:
Base-Base interactions energy: -440.981
where: short stacking energy: -260.357
Base-Backbone interact. energy: 0.876
local terms energy: -487.556267
where:
bonds (distance) C4'-P energy: -145.452
bonds (distance) P-C4' energy: -157.358
flat angles C4'-P-C4' energy: -115.419
flat angles P-C4'-P energy: -74.159
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: 8
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -724.019525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.019525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.019525 (E_RNA)
where:
Base-Base interactions energy: -280.085
where: short stacking energy: -205.581
Base-Backbone interact. energy: 1.883
local terms energy: -445.818402
where:
bonds (distance) C4'-P energy: -135.923
bonds (distance) P-C4' energy: -157.233
flat angles C4'-P-C4' energy: -124.140
flat angles P-C4'-P energy: -51.712
tors. eta vs tors. theta energy: 23.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -651.329009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.329009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.329009 (E_RNA)
where:
Base-Base interactions energy: -241.115
where: short stacking energy: -201.792
Base-Backbone interact. energy: 4.523
local terms energy: -414.736229
where:
bonds (distance) C4'-P energy: -140.557
bonds (distance) P-C4' energy: -149.993
flat angles C4'-P-C4' energy: -115.088
flat angles P-C4'-P energy: -52.776
tors. eta vs tors. theta energy: 43.677
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: 1, replica: 5
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -1894.856257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.856257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.856257 (E_RNA)
where:
Base-Base interactions energy: -1082.327
where: short stacking energy: -645.017
Base-Backbone interact. energy: -1.182
local terms energy: -811.346888
where:
bonds (distance) C4'-P energy: -179.221
bonds (distance) P-C4' energy: -189.298
flat angles C4'-P-C4' energy: -178.346
flat angles P-C4'-P energy: -102.160
tors. eta vs tors. theta energy: -162.321
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: 6
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -2118.732244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.732244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.732244 (E_RNA)
where:
Base-Base interactions energy: -1316.995
where: short stacking energy: -654.056
Base-Backbone interact. energy: -4.956
local terms energy: -796.781118
where:
bonds (distance) C4'-P energy: -167.027
bonds (distance) P-C4' energy: -160.780
flat angles C4'-P-C4' energy: -190.815
flat angles P-C4'-P energy: -122.561
tors. eta vs tors. theta energy: -155.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -1648.958655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.958655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.958655 (E_RNA)
where:
Base-Base interactions energy: -907.856
where: short stacking energy: -540.253
Base-Backbone interact. energy: -3.624
local terms energy: -737.478748
where:
bonds (distance) C4'-P energy: -163.774
bonds (distance) P-C4' energy: -173.382
flat angles C4'-P-C4' energy: -180.661
flat angles P-C4'-P energy: -99.162
tors. eta vs tors. theta energy: -120.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -1486.549701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.549701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.549701 (E_RNA)
where:
Base-Base interactions energy: -834.949
where: short stacking energy: -461.023
Base-Backbone interact. energy: -2.092
local terms energy: -649.508064
where:
bonds (distance) C4'-P energy: -161.880
bonds (distance) P-C4' energy: -160.431
flat angles C4'-P-C4' energy: -155.213
flat angles P-C4'-P energy: -86.750
tors. eta vs tors. theta energy: -85.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -1378.253354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.253354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.253354 (E_RNA)
where:
Base-Base interactions energy: -755.086
where: short stacking energy: -439.696
Base-Backbone interact. energy: -3.990
local terms energy: -619.177763
where:
bonds (distance) C4'-P energy: -170.446
bonds (distance) P-C4' energy: -143.783
flat angles C4'-P-C4' energy: -141.284
flat angles P-C4'-P energy: -77.277
tors. eta vs tors. theta energy: -86.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -1152.660911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.660911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.660911 (E_RNA)
where:
Base-Base interactions energy: -548.737
where: short stacking energy: -361.494
Base-Backbone interact. energy: -0.997
local terms energy: -602.926842
where:
bonds (distance) C4'-P energy: -154.844
bonds (distance) P-C4' energy: -169.580
flat angles C4'-P-C4' energy: -166.909
flat angles P-C4'-P energy: -91.580
tors. eta vs tors. theta energy: -20.013
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: 7, replica: 3
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -1009.015324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.015324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.015324 (E_RNA)
where:
Base-Base interactions energy: -469.992
where: short stacking energy: -323.502
Base-Backbone interact. energy: 0.467
local terms energy: -539.490358
where:
bonds (distance) C4'-P energy: -144.906
bonds (distance) P-C4' energy: -140.936
flat angles C4'-P-C4' energy: -149.471
flat angles P-C4'-P energy: -70.196
tors. eta vs tors. theta energy: -33.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -945.815267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.815267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.815267 (E_RNA)
where:
Base-Base interactions energy: -450.398
where: short stacking energy: -253.810
Base-Backbone interact. energy: 11.482
local terms energy: -506.899904
where:
bonds (distance) C4'-P energy: -144.661
bonds (distance) P-C4' energy: -149.338
flat angles C4'-P-C4' energy: -126.504
flat angles P-C4'-P energy: -84.241
tors. eta vs tors. theta energy: -2.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -735.192142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.192142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.192142 (E_RNA)
where:
Base-Base interactions energy: -263.647
where: short stacking energy: -206.562
Base-Backbone interact. energy: 0.833
local terms energy: -472.377670
where:
bonds (distance) C4'-P energy: -154.546
bonds (distance) P-C4' energy: -163.864
flat angles C4'-P-C4' energy: -118.344
flat angles P-C4'-P energy: -53.347
tors. eta vs tors. theta energy: 17.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -650.091112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.091112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.091112 (E_RNA)
where:
Base-Base interactions energy: -188.542
where: short stacking energy: -143.065
Base-Backbone interact. energy: -4.021
local terms energy: -457.528181
where:
bonds (distance) C4'-P energy: -133.677
bonds (distance) P-C4' energy: -171.519
flat angles C4'-P-C4' energy: -130.159
flat angles P-C4'-P energy: -65.576
tors. eta vs tors. theta energy: 43.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -2177.303968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.303968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2177.303968 (E_RNA)
where:
Base-Base interactions energy: -1346.724
where: short stacking energy: -670.847
Base-Backbone interact. energy: 0.568
local terms energy: -831.147655
where:
bonds (distance) C4'-P energy: -177.065
bonds (distance) P-C4' energy: -189.508
flat angles C4'-P-C4' energy: -177.084
flat angles P-C4'-P energy: -130.382
tors. eta vs tors. theta energy: -157.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -1834.641891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.641891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.641891 (E_RNA)
where:
Base-Base interactions energy: -1046.154
where: short stacking energy: -586.642
Base-Backbone interact. energy: -1.688
local terms energy: -786.799842
where:
bonds (distance) C4'-P energy: -167.933
bonds (distance) P-C4' energy: -168.913
flat angles C4'-P-C4' energy: -201.871
flat angles P-C4'-P energy: -106.266
tors. eta vs tors. theta energy: -141.817
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: 16
Temperature: 1.000000
Total energy: -1656.232806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.232806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.232806 (E_RNA)
where:
Base-Base interactions energy: -903.037
where: short stacking energy: -550.566
Base-Backbone interact. energy: -1.821
local terms energy: -751.375016
where:
bonds (distance) C4'-P energy: -171.356
bonds (distance) P-C4' energy: -190.142
flat angles C4'-P-C4' energy: -153.062
flat angles P-C4'-P energy: -105.296
tors. eta vs tors. theta energy: -131.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -1495.431902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.431902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.431902 (E_RNA)
where:
Base-Base interactions energy: -811.063
where: short stacking energy: -465.573
Base-Backbone interact. energy: -2.977
local terms energy: -681.391795
where:
bonds (distance) C4'-P energy: -148.423
bonds (distance) P-C4' energy: -168.239
flat angles C4'-P-C4' energy: -167.234
flat angles P-C4'-P energy: -105.653
tors. eta vs tors. theta energy: -91.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -1339.684870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.684870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.684870 (E_RNA)
where:
Base-Base interactions energy: -722.652
where: short stacking energy: -410.301
Base-Backbone interact. energy: -4.560
local terms energy: -612.472475
where:
bonds (distance) C4'-P energy: -129.067
bonds (distance) P-C4' energy: -172.923
flat angles C4'-P-C4' energy: -151.993
flat angles P-C4'-P energy: -95.398
tors. eta vs tors. theta energy: -63.091
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: 7
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -1253.067769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.067769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.067769 (E_RNA)
where:
Base-Base interactions energy: -637.168
where: short stacking energy: -353.908
Base-Backbone interact. energy: -1.584
local terms energy: -614.315141
where:
bonds (distance) C4'-P energy: -165.990
bonds (distance) P-C4' energy: -170.396
flat angles C4'-P-C4' energy: -162.701
flat angles P-C4'-P energy: -74.685
tors. eta vs tors. theta energy: -40.543
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: 7, replica: 10
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -1019.506864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.506864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.506864 (E_RNA)
where:
Base-Base interactions energy: -472.327
where: short stacking energy: -317.295
Base-Backbone interact. energy: 1.149
local terms energy: -548.329043
where:
bonds (distance) C4'-P energy: -147.580
bonds (distance) P-C4' energy: -151.029
flat angles C4'-P-C4' energy: -147.883
flat angles P-C4'-P energy: -96.693
tors. eta vs tors. theta energy: -5.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -913.055381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.055381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.055381 (E_RNA)
where:
Base-Base interactions energy: -427.771
where: short stacking energy: -254.321
Base-Backbone interact. energy: -4.318
local terms energy: -481.195304
where:
bonds (distance) C4'-P energy: -136.416
bonds (distance) P-C4' energy: -164.120
flat angles C4'-P-C4' energy: -124.776
flat angles P-C4'-P energy: -66.324
tors. eta vs tors. theta energy: 10.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.228 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -694.250356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.250356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.250356 (E_RNA)
where:
Base-Base interactions energy: -270.155
where: short stacking energy: -218.387
Base-Backbone interact. energy: -0.380
local terms energy: -423.715385
where:
bonds (distance) C4'-P energy: -142.201
bonds (distance) P-C4' energy: -144.845
flat angles C4'-P-C4' energy: -122.305
flat angles P-C4'-P energy: -63.580
tors. eta vs tors. theta energy: 49.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -674.210088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.210088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.210088 (E_RNA)
where:
Base-Base interactions energy: -261.375
where: short stacking energy: -177.318
Base-Backbone interact. energy: 4.873
local terms energy: -417.708764
where:
bonds (distance) C4'-P energy: -166.467
bonds (distance) P-C4' energy: -141.807
flat angles C4'-P-C4' energy: -107.981
flat angles P-C4'-P energy: -55.172
tors. eta vs tors. theta energy: 53.717
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: 17
Temperature: 0.900000
Total energy: -2278.524017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2278.524017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.524017 (E_RNA)
where:
Base-Base interactions energy: -1424.050
where: short stacking energy: -699.010
Base-Backbone interact. energy: 3.962
local terms energy: -858.435675
where:
bonds (distance) C4'-P energy: -171.221
bonds (distance) P-C4' energy: -187.034
flat angles C4'-P-C4' energy: -197.505
flat angles P-C4'-P energy: -129.270
tors. eta vs tors. theta energy: -173.406
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: 2, replica: 5
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -1891.319685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.319685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.319685 (E_RNA)
where:
Base-Base interactions energy: -1105.316
where: short stacking energy: -628.570
Base-Backbone interact. energy: 1.939
local terms energy: -787.942935
where:
bonds (distance) C4'-P energy: -162.553
bonds (distance) P-C4' energy: -173.987
flat angles C4'-P-C4' energy: -178.304
flat angles P-C4'-P energy: -123.941
tors. eta vs tors. theta energy: -149.158
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: 1
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -1647.147071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.147071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.147071 (E_RNA)
where:
Base-Base interactions energy: -905.707
where: short stacking energy: -541.386
Base-Backbone interact. energy: -1.676
local terms energy: -739.764897
where:
bonds (distance) C4'-P energy: -160.866
bonds (distance) P-C4' energy: -197.266
flat angles C4'-P-C4' energy: -155.952
flat angles P-C4'-P energy: -99.559
tors. eta vs tors. theta energy: -126.121
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: 4, replica: 2
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -1540.250950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.250950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.250950 (E_RNA)
where:
Base-Base interactions energy: -821.561
where: short stacking energy: -443.718
Base-Backbone interact. energy: -1.926
local terms energy: -716.764502
where:
bonds (distance) C4'-P energy: -185.981
bonds (distance) P-C4' energy: -174.588
flat angles C4'-P-C4' energy: -164.766
flat angles P-C4'-P energy: -109.534
tors. eta vs tors. theta energy: -81.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -1401.155395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.155395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.155395 (E_RNA)
where:
Base-Base interactions energy: -762.731
where: short stacking energy: -458.222
Base-Backbone interact. energy: 0.294
local terms energy: -639.278133
where:
bonds (distance) C4'-P energy: -149.981
bonds (distance) P-C4' energy: -171.588
flat angles C4'-P-C4' energy: -144.168
flat angles P-C4'-P energy: -94.713
tors. eta vs tors. theta energy: -78.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.560 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -1248.487770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.487770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.487770 (E_RNA)
where:
Base-Base interactions energy: -652.887
where: short stacking energy: -351.020
Base-Backbone interact. energy: -1.379
local terms energy: -594.222382
where:
bonds (distance) C4'-P energy: -154.378
bonds (distance) P-C4' energy: -151.363
flat angles C4'-P-C4' energy: -153.084
flat angles P-C4'-P energy: -89.583
tors. eta vs tors. theta energy: -45.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -1021.284620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.284620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.284620 (E_RNA)
where:
Base-Base interactions energy: -490.844
where: short stacking energy: -300.043
Base-Backbone interact. energy: 0.506
local terms energy: -530.947231
where:
bonds (distance) C4'-P energy: -140.591
bonds (distance) P-C4' energy: -168.180
flat angles C4'-P-C4' energy: -127.583
flat angles P-C4'-P energy: -80.366
tors. eta vs tors. theta energy: -14.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -967.268264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.268264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.268264 (E_RNA)
where:
Base-Base interactions energy: -483.078
where: short stacking energy: -269.135
Base-Backbone interact. energy: 1.197
local terms energy: -485.387035
where:
bonds (distance) C4'-P energy: -130.689
bonds (distance) P-C4' energy: -142.479
flat angles C4'-P-C4' energy: -129.755
flat angles P-C4'-P energy: -91.925
tors. eta vs tors. theta energy: 9.461
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: 9, replica: 8
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -731.418198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.418198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.418198 (E_RNA)
where:
Base-Base interactions energy: -295.852
where: short stacking energy: -207.058
Base-Backbone interact. energy: 2.227
local terms energy: -437.793412
where:
bonds (distance) C4'-P energy: -138.715
bonds (distance) P-C4' energy: -135.428
flat angles C4'-P-C4' energy: -131.366
flat angles P-C4'-P energy: -74.973
tors. eta vs tors. theta energy: 42.688
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: 10, replica: 9
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -670.368748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.368748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.368748 (E_RNA)
where:
Base-Base interactions energy: -246.173
where: short stacking energy: -181.874
Base-Backbone interact. energy: -0.330
local terms energy: -423.865528
where:
bonds (distance) C4'-P energy: -113.231
bonds (distance) P-C4' energy: -132.394
flat angles C4'-P-C4' energy: -121.258
flat angles P-C4'-P energy: -81.549
tors. eta vs tors. theta energy: 24.565
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: 6
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -2336.156571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2336.156571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2336.156571 (E_RNA)
where:
Base-Base interactions energy: -1486.158
where: short stacking energy: -722.141
Base-Backbone interact. energy: -1.664
local terms energy: -848.334355
where:
bonds (distance) C4'-P energy: -169.753
bonds (distance) P-C4' energy: -176.738
flat angles C4'-P-C4' energy: -176.509
flat angles P-C4'-P energy: -133.591
tors. eta vs tors. theta energy: -191.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -1918.524435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.524435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.524435 (E_RNA)
where:
Base-Base interactions energy: -1128.704
where: short stacking energy: -630.653
Base-Backbone interact. energy: -2.499
local terms energy: -787.320540
where:
bonds (distance) C4'-P energy: -175.465
bonds (distance) P-C4' energy: -164.096
flat angles C4'-P-C4' energy: -181.902
flat angles P-C4'-P energy: -124.746
tors. eta vs tors. theta energy: -141.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -1766.432165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.432165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.432165 (E_RNA)
where:
Base-Base interactions energy: -1005.324
where: short stacking energy: -594.386
Base-Backbone interact. energy: -1.794
local terms energy: -759.314387
where:
bonds (distance) C4'-P energy: -172.267
bonds (distance) P-C4' energy: -169.978
flat angles C4'-P-C4' energy: -167.345
flat angles P-C4'-P energy: -92.905
tors. eta vs tors. theta energy: -156.820
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: 4, replica: 2
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -1566.338550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.338550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.338550 (E_RNA)
where:
Base-Base interactions energy: -884.160
where: short stacking energy: -510.738
Base-Backbone interact. energy: -3.057
local terms energy: -679.121601
where:
bonds (distance) C4'-P energy: -174.284
bonds (distance) P-C4' energy: -176.483
flat angles C4'-P-C4' energy: -155.220
flat angles P-C4'-P energy: -98.589
tors. eta vs tors. theta energy: -74.545
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: 4
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -1327.185252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.185252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.185252 (E_RNA)
where:
Base-Base interactions energy: -734.115
where: short stacking energy: -395.462
Base-Backbone interact. energy: 5.084
local terms energy: -598.154276
where:
bonds (distance) C4'-P energy: -137.419
bonds (distance) P-C4' energy: -168.687
flat angles C4'-P-C4' energy: -145.566
flat angles P-C4'-P energy: -96.479
tors. eta vs tors. theta energy: -50.003
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: 6, replica: 7
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -1212.693565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.693565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.693565 (E_RNA)
where:
Base-Base interactions energy: -607.159
where: short stacking energy: -358.424
Base-Backbone interact. energy: 2.881
local terms energy: -608.415397
where:
bonds (distance) C4'-P energy: -142.524
bonds (distance) P-C4' energy: -176.216
flat angles C4'-P-C4' energy: -157.073
flat angles P-C4'-P energy: -79.755
tors. eta vs tors. theta energy: -52.848
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: 7, replica: 10
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -1127.050788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.050788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.050788 (E_RNA)
where:
Base-Base interactions energy: -577.857
where: short stacking energy: -329.463
Base-Backbone interact. energy: -2.793
local terms energy: -546.400032
where:
bonds (distance) C4'-P energy: -178.714
bonds (distance) P-C4' energy: -148.744
flat angles C4'-P-C4' energy: -126.027
flat angles P-C4'-P energy: -71.285
tors. eta vs tors. theta energy: -21.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -1045.196667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.196667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.196667 (E_RNA)
where:
Base-Base interactions energy: -510.126
where: short stacking energy: -285.605
Base-Backbone interact. energy: 7.372
local terms energy: -542.843536
where:
bonds (distance) C4'-P energy: -150.509
bonds (distance) P-C4' energy: -165.464
flat angles C4'-P-C4' energy: -138.727
flat angles P-C4'-P energy: -77.202
tors. eta vs tors. theta energy: -10.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.400 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -683.193900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.193900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.193900 (E_RNA)
where:
Base-Base interactions energy: -229.227
where: short stacking energy: -182.953
Base-Backbone interact. energy: -5.595
local terms energy: -448.371598
where:
bonds (distance) C4'-P energy: -136.423
bonds (distance) P-C4' energy: -169.891
flat angles C4'-P-C4' energy: -99.808
flat angles P-C4'-P energy: -90.034
tors. eta vs tors. theta energy: 47.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -710.897740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.897740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.897740 (E_RNA)
where:
Base-Base interactions energy: -254.430
where: short stacking energy: -186.933
Base-Backbone interact. energy: -4.598
local terms energy: -451.870400
where:
bonds (distance) C4'-P energy: -132.452
bonds (distance) P-C4' energy: -147.434
flat angles C4'-P-C4' energy: -123.269
flat angles P-C4'-P energy: -75.657
tors. eta vs tors. theta energy: 26.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -2266.458313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2266.458313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2266.458313 (E_RNA)
where:
Base-Base interactions energy: -1446.696
where: short stacking energy: -698.005
Base-Backbone interact. energy: -1.206
local terms energy: -818.556025
where:
bonds (distance) C4'-P energy: -177.002
bonds (distance) P-C4' energy: -171.394
flat angles C4'-P-C4' energy: -191.372
flat angles P-C4'-P energy: -103.621
tors. eta vs tors. theta energy: -175.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -1984.182767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.182767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.182767 (E_RNA)
where:
Base-Base interactions energy: -1182.351
where: short stacking energy: -612.908
Base-Backbone interact. energy: -1.744
local terms energy: -800.088490
where:
bonds (distance) C4'-P energy: -164.129
bonds (distance) P-C4' energy: -182.238
flat angles C4'-P-C4' energy: -199.682
flat angles P-C4'-P energy: -112.057
tors. eta vs tors. theta energy: -141.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -1740.628575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.628575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.628575 (E_RNA)
where:
Base-Base interactions energy: -980.825
where: short stacking energy: -536.451
Base-Backbone interact. energy: -0.140
local terms energy: -759.663753
where:
bonds (distance) C4'-P energy: -170.872
bonds (distance) P-C4' energy: -166.833
flat angles C4'-P-C4' energy: -183.488
flat angles P-C4'-P energy: -113.472
tors. eta vs tors. theta energy: -124.998
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: 2
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -1450.693091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.693091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1450.693091 (E_RNA)
where:
Base-Base interactions energy: -812.375
where: short stacking energy: -478.839
Base-Backbone interact. energy: -2.140
local terms energy: -636.177582
where:
bonds (distance) C4'-P energy: -149.057
bonds (distance) P-C4' energy: -147.659
flat angles C4'-P-C4' energy: -159.617
flat angles P-C4'-P energy: -98.626
tors. eta vs tors. theta energy: -81.218
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: 4
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -1361.655577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.655577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.655577 (E_RNA)
where:
Base-Base interactions energy: -705.635
where: short stacking energy: -391.807
Base-Backbone interact. energy: -3.698
local terms energy: -652.322448
where:
bonds (distance) C4'-P energy: -170.966
bonds (distance) P-C4' energy: -148.402
flat angles C4'-P-C4' energy: -156.339
flat angles P-C4'-P energy: -113.446
tors. eta vs tors. theta energy: -63.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -1219.056733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.056733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.056733 (E_RNA)
where:
Base-Base interactions energy: -620.521
where: short stacking energy: -331.706
Base-Backbone interact. energy: -0.719
local terms energy: -597.817343
where:
bonds (distance) C4'-P energy: -152.175
bonds (distance) P-C4' energy: -167.441
flat angles C4'-P-C4' energy: -135.303
flat angles P-C4'-P energy: -100.238
tors. eta vs tors. theta energy: -42.659
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: 7
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -1112.064437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.064437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.064437 (E_RNA)
where:
Base-Base interactions energy: -533.207
where: short stacking energy: -322.708
Base-Backbone interact. energy: -7.116
local terms energy: -571.741501
where:
bonds (distance) C4'-P energy: -185.780
bonds (distance) P-C4' energy: -145.014
flat angles C4'-P-C4' energy: -121.851
flat angles P-C4'-P energy: -87.439
tors. eta vs tors. theta energy: -31.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -1057.302915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.302915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.302915 (E_RNA)
where:
Base-Base interactions energy: -535.232
where: short stacking energy: -305.445
Base-Backbone interact. energy: -5.088
local terms energy: -516.982969
where:
bonds (distance) C4'-P energy: -153.864
bonds (distance) P-C4' energy: -152.773
flat angles C4'-P-C4' energy: -122.128
flat angles P-C4'-P energy: -73.931
tors. eta vs tors. theta energy: -14.286
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: 9
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -696.029616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.029616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.029616 (E_RNA)
where:
Base-Base interactions energy: -260.149
where: short stacking energy: -224.844
Base-Backbone interact. energy: 6.200
local terms energy: -442.080609
where:
bonds (distance) C4'-P energy: -131.709
bonds (distance) P-C4' energy: -136.921
flat angles C4'-P-C4' energy: -124.821
flat angles P-C4'-P energy: -74.492
tors. eta vs tors. theta energy: 25.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -725.333098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.333098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.333098 (E_RNA)
where:
Base-Base interactions energy: -251.990
where: short stacking energy: -188.713
Base-Backbone interact. energy: 0.313
local terms energy: -473.655744
where:
bonds (distance) C4'-P energy: -155.534
bonds (distance) P-C4' energy: -166.708
flat angles C4'-P-C4' energy: -118.796
flat angles P-C4'-P energy: -62.709
tors. eta vs tors. theta energy: 30.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -2269.046627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2269.046627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.046627 (E_RNA)
where:
Base-Base interactions energy: -1416.272
where: short stacking energy: -654.529
Base-Backbone interact. energy: -4.027
local terms energy: -848.748079
where:
bonds (distance) C4'-P energy: -176.088
bonds (distance) P-C4' energy: -189.432
flat angles C4'-P-C4' energy: -191.047
flat angles P-C4'-P energy: -125.327
tors. eta vs tors. theta energy: -166.855
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: 5
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -1952.275243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.275243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.275243 (E_RNA)
where:
Base-Base interactions energy: -1198.370
where: short stacking energy: -610.062
Base-Backbone interact. energy: 7.077
local terms energy: -760.981490
where:
bonds (distance) C4'-P energy: -168.872
bonds (distance) P-C4' energy: -178.750
flat angles C4'-P-C4' energy: -154.327
flat angles P-C4'-P energy: -113.916
tors. eta vs tors. theta energy: -145.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -1774.624952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.624952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.624952 (E_RNA)
where:
Base-Base interactions energy: -1009.879
where: short stacking energy: -533.530
Base-Backbone interact. energy: -3.065
local terms energy: -761.681006
where:
bonds (distance) C4'-P energy: -187.187
bonds (distance) P-C4' energy: -155.556
flat angles C4'-P-C4' energy: -183.652
flat angles P-C4'-P energy: -108.332
tors. eta vs tors. theta energy: -126.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -1483.665980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.665980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.665980 (E_RNA)
where:
Base-Base interactions energy: -759.945
where: short stacking energy: -449.816
Base-Backbone interact. energy: -0.499
local terms energy: -723.222314
where:
bonds (distance) C4'-P energy: -166.564
bonds (distance) P-C4' energy: -177.697
flat angles C4'-P-C4' energy: -171.946
flat angles P-C4'-P energy: -105.195
tors. eta vs tors. theta energy: -101.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -1349.115783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.115783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.115783 (E_RNA)
where:
Base-Base interactions energy: -705.817
where: short stacking energy: -425.432
Base-Backbone interact. energy: 0.736
local terms energy: -644.034359
where:
bonds (distance) C4'-P energy: -156.933
bonds (distance) P-C4' energy: -173.878
flat angles C4'-P-C4' energy: -155.922
flat angles P-C4'-P energy: -93.881
tors. eta vs tors. theta energy: -63.420
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: 6, replica: 10
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -1301.108931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.108931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.108931 (E_RNA)
where:
Base-Base interactions energy: -678.671
where: short stacking energy: -354.665
Base-Backbone interact. energy: -3.096
local terms energy: -619.341458
where:
bonds (distance) C4'-P energy: -155.068
bonds (distance) P-C4' energy: -158.380
flat angles C4'-P-C4' energy: -140.486
flat angles P-C4'-P energy: -98.356
tors. eta vs tors. theta energy: -67.050
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: 3
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -1201.316649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.316649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.316649 (E_RNA)
where:
Base-Base interactions energy: -632.065
where: short stacking energy: -360.098
Base-Backbone interact. energy: -3.746
local terms energy: -565.504900
where:
bonds (distance) C4'-P energy: -138.122
bonds (distance) P-C4' energy: -169.576
flat angles C4'-P-C4' energy: -147.825
flat angles P-C4'-P energy: -80.667
tors. eta vs tors. theta energy: -29.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -1106.922753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.922753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.922753 (E_RNA)
where:
Base-Base interactions energy: -580.618
where: short stacking energy: -321.823
Base-Backbone interact. energy: 2.335
local terms energy: -528.639518
where:
bonds (distance) C4'-P energy: -157.813
bonds (distance) P-C4' energy: -146.154
flat angles C4'-P-C4' energy: -126.176
flat angles P-C4'-P energy: -79.031
tors. eta vs tors. theta energy: -19.466
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: 9, replica: 8
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -805.146674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.146674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.146674 (E_RNA)
where:
Base-Base interactions energy: -345.026
where: short stacking energy: -212.438
Base-Backbone interact. energy: 1.473
local terms energy: -461.593985
where:
bonds (distance) C4'-P energy: -130.218
bonds (distance) P-C4' energy: -156.930
flat angles C4'-P-C4' energy: -125.888
flat angles P-C4'-P energy: -78.516
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: 10, replica: 9
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -656.780820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.780820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.780820 (E_RNA)
where:
Base-Base interactions energy: -273.021
where: short stacking energy: -202.029
Base-Backbone interact. energy: 1.509
local terms energy: -385.268578
where:
bonds (distance) C4'-P energy: -135.809
bonds (distance) P-C4' energy: -132.094
flat angles C4'-P-C4' energy: -100.106
flat angles P-C4'-P energy: -63.915
tors. eta vs tors. theta energy: 46.655
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: 6
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -2278.317378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2278.317378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.317378 (E_RNA)
where:
Base-Base interactions energy: -1439.605
where: short stacking energy: -686.926
Base-Backbone interact. energy: -1.001
local terms energy: -837.711324
where:
bonds (distance) C4'-P energy: -168.343
bonds (distance) P-C4' energy: -180.706
flat angles C4'-P-C4' energy: -187.307
flat angles P-C4'-P energy: -133.678
tors. eta vs tors. theta energy: -167.677
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: 5
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -1990.560171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.560171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.560171 (E_RNA)
where:
Base-Base interactions energy: -1211.883
where: short stacking energy: -611.374
Base-Backbone interact. energy: -5.119
local terms energy: -773.558309
where:
bonds (distance) C4'-P energy: -170.107
bonds (distance) P-C4' energy: -184.186
flat angles C4'-P-C4' energy: -166.829
flat angles P-C4'-P energy: -116.762
tors. eta vs tors. theta energy: -135.675
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: 21
Temperature: 1.000000
Total energy: -1826.804222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.804222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.804222 (E_RNA)
where:
Base-Base interactions energy: -1078.270
where: short stacking energy: -623.339
Base-Backbone interact. energy: 1.171
local terms energy: -749.705695
where:
bonds (distance) C4'-P energy: -172.006
bonds (distance) P-C4' energy: -174.105
flat angles C4'-P-C4' energy: -164.904
flat angles P-C4'-P energy: -84.400
tors. eta vs tors. theta energy: -154.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -1524.428744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1524.428744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1524.428744 (E_RNA)
where:
Base-Base interactions energy: -824.870
where: short stacking energy: -458.407
Base-Backbone interact. energy: -2.514
local terms energy: -697.044585
where:
bonds (distance) C4'-P energy: -162.773
bonds (distance) P-C4' energy: -151.156
flat angles C4'-P-C4' energy: -178.411
flat angles P-C4'-P energy: -120.179
tors. eta vs tors. theta energy: -84.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -1387.170126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.170126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.170126 (E_RNA)
where:
Base-Base interactions energy: -728.115
where: short stacking energy: -433.455
Base-Backbone interact. energy: -1.422
local terms energy: -657.633289
where:
bonds (distance) C4'-P energy: -136.414
bonds (distance) P-C4' energy: -180.086
flat angles C4'-P-C4' energy: -136.736
flat angles P-C4'-P energy: -107.295
tors. eta vs tors. theta energy: -97.102
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: 10
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -1358.917498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.917498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.917498 (E_RNA)
where:
Base-Base interactions energy: -745.084
where: short stacking energy: -413.158
Base-Backbone interact. energy: 4.461
local terms energy: -618.294059
where:
bonds (distance) C4'-P energy: -141.348
bonds (distance) P-C4' energy: -168.555
flat angles C4'-P-C4' energy: -137.729
flat angles P-C4'-P energy: -97.206
tors. eta vs tors. theta energy: -73.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -1116.422609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.422609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.422609 (E_RNA)
where:
Base-Base interactions energy: -567.392
where: short stacking energy: -310.130
Base-Backbone interact. energy: -1.194
local terms energy: -547.837154
where:
bonds (distance) C4'-P energy: -154.288
bonds (distance) P-C4' energy: -159.639
flat angles C4'-P-C4' energy: -136.379
flat angles P-C4'-P energy: -79.339
tors. eta vs tors. theta energy: -18.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -1020.824641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.824641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.824641 (E_RNA)
where:
Base-Base interactions energy: -522.584
where: short stacking energy: -287.218
Base-Backbone interact. energy: 0.996
local terms energy: -499.237314
where:
bonds (distance) C4'-P energy: -133.379
bonds (distance) P-C4' energy: -157.026
flat angles C4'-P-C4' energy: -139.673
flat angles P-C4'-P energy: -64.990
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: 9, replica: 8
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -703.055962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.055962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.055962 (E_RNA)
where:
Base-Base interactions energy: -235.805
where: short stacking energy: -201.018
Base-Backbone interact. energy: 0.162
local terms energy: -467.413401
where:
bonds (distance) C4'-P energy: -146.855
bonds (distance) P-C4' energy: -139.476
flat angles C4'-P-C4' energy: -134.197
flat angles P-C4'-P energy: -78.787
tors. eta vs tors. theta energy: 31.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -639.378175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.378175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.378175 (E_RNA)
where:
Base-Base interactions energy: -230.890
where: short stacking energy: -197.764
Base-Backbone interact. energy: 0.448
local terms energy: -408.936661
where:
bonds (distance) C4'-P energy: -124.529
bonds (distance) P-C4' energy: -141.929
flat angles C4'-P-C4' energy: -100.697
flat angles P-C4'-P energy: -65.905
tors. eta vs tors. theta energy: 24.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -2314.451455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.451455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2314.451455 (E_RNA)
where:
Base-Base interactions energy: -1467.931
where: short stacking energy: -695.334
Base-Backbone interact. energy: -0.750
local terms energy: -845.770937
where:
bonds (distance) C4'-P energy: -186.970
bonds (distance) P-C4' energy: -184.183
flat angles C4'-P-C4' energy: -175.824
flat angles P-C4'-P energy: -127.191
tors. eta vs tors. theta energy: -171.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -2019.718573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.718573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.718573 (E_RNA)
where:
Base-Base interactions energy: -1205.810
where: short stacking energy: -619.204
Base-Backbone interact. energy: -4.523
local terms energy: -809.385631
where:
bonds (distance) C4'-P energy: -177.824
bonds (distance) P-C4' energy: -182.884
flat angles C4'-P-C4' energy: -188.674
flat angles P-C4'-P energy: -109.003
tors. eta vs tors. theta energy: -151.001
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: 1
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -1791.153630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.153630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.153630 (E_RNA)
where:
Base-Base interactions energy: -1052.660
where: short stacking energy: -567.479
Base-Backbone interact. energy: -3.748
local terms energy: -734.745109
where:
bonds (distance) C4'-P energy: -147.311
bonds (distance) P-C4' energy: -185.319
flat angles C4'-P-C4' energy: -164.382
flat angles P-C4'-P energy: -102.420
tors. eta vs tors. theta energy: -135.313
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: 4, replica: 2
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -1585.110246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.110246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.110246 (E_RNA)
where:
Base-Base interactions energy: -859.598
where: short stacking energy: -516.140
Base-Backbone interact. energy: -0.240
local terms energy: -725.272722
where:
bonds (distance) C4'-P energy: -169.264
bonds (distance) P-C4' energy: -178.161
flat angles C4'-P-C4' energy: -184.567
flat angles P-C4'-P energy: -96.573
tors. eta vs tors. theta energy: -96.707
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: 10
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -1493.854839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.854839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1493.854839 (E_RNA)
where:
Base-Base interactions energy: -802.667
where: short stacking energy: -457.458
Base-Backbone interact. energy: -3.192
local terms energy: -687.995521
where:
bonds (distance) C4'-P energy: -159.295
bonds (distance) P-C4' energy: -166.818
flat angles C4'-P-C4' energy: -158.981
flat angles P-C4'-P energy: -113.405
tors. eta vs tors. theta energy: -89.497
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: 4
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -1309.134515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.134515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.134515 (E_RNA)
where:
Base-Base interactions energy: -685.979
where: short stacking energy: -385.952
Base-Backbone interact. energy: -4.181
local terms energy: -618.974650
where:
bonds (distance) C4'-P energy: -154.261
bonds (distance) P-C4' energy: -150.318
flat angles C4'-P-C4' energy: -159.183
flat angles P-C4'-P energy: -99.590
tors. eta vs tors. theta energy: -55.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -1192.743502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.743502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.743502 (E_RNA)
where:
Base-Base interactions energy: -644.050
where: short stacking energy: -354.029
Base-Backbone interact. energy: -1.682
local terms energy: -547.011890
where:
bonds (distance) C4'-P energy: -149.552
bonds (distance) P-C4' energy: -169.811
flat angles C4'-P-C4' energy: -122.462
flat angles P-C4'-P energy: -82.534
tors. eta vs tors. theta energy: -22.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -903.695679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.695679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.695679 (E_RNA)
where:
Base-Base interactions energy: -425.557
where: short stacking energy: -252.721
Base-Backbone interact. energy: -4.258
local terms energy: -473.880760
where:
bonds (distance) C4'-P energy: -148.886
bonds (distance) P-C4' energy: -164.222
flat angles C4'-P-C4' energy: -107.702
flat angles P-C4'-P energy: -64.862
tors. eta vs tors. theta energy: 11.791
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: 9
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -752.116860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.116860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.116860 (E_RNA)
where:
Base-Base interactions energy: -306.312
where: short stacking energy: -230.369
Base-Backbone interact. energy: 6.342
local terms energy: -452.146676
where:
bonds (distance) C4'-P energy: -142.573
bonds (distance) P-C4' energy: -121.979
flat angles C4'-P-C4' energy: -125.299
flat angles P-C4'-P energy: -68.728
tors. eta vs tors. theta energy: 6.431
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: 8
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -662.815321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.815321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.815321 (E_RNA)
where:
Base-Base interactions energy: -245.486
where: short stacking energy: -206.112
Base-Backbone interact. energy: -1.437
local terms energy: -415.893029
where:
bonds (distance) C4'-P energy: -136.052
bonds (distance) P-C4' energy: -144.509
flat angles C4'-P-C4' energy: -128.925
flat angles P-C4'-P energy: -28.561
tors. eta vs tors. theta energy: 22.154
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: 1, replica: 6
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -2311.306682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2311.306682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2311.306682 (E_RNA)
where:
Base-Base interactions energy: -1474.977
where: short stacking energy: -707.509
Base-Backbone interact. energy: -3.354
local terms energy: -832.975113
where:
bonds (distance) C4'-P energy: -184.089
bonds (distance) P-C4' energy: -178.146
flat angles C4'-P-C4' energy: -179.655
flat angles P-C4'-P energy: -109.731
tors. eta vs tors. theta energy: -181.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -2090.547831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.547831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.547831 (E_RNA)
where:
Base-Base interactions energy: -1277.089
where: short stacking energy: -657.779
Base-Backbone interact. energy: -0.463
local terms energy: -812.995371
where:
bonds (distance) C4'-P energy: -174.918
bonds (distance) P-C4' energy: -164.857
flat angles C4'-P-C4' energy: -191.199
flat angles P-C4'-P energy: -121.295
tors. eta vs tors. theta energy: -160.727
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: 23
Temperature: 1.000000
Total energy: -1803.223539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.223539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.223539 (E_RNA)
where:
Base-Base interactions energy: -1039.369
where: short stacking energy: -587.168
Base-Backbone interact. energy: -3.208
local terms energy: -760.646498
where:
bonds (distance) C4'-P energy: -168.886
bonds (distance) P-C4' energy: -152.956
flat angles C4'-P-C4' energy: -186.502
flat angles P-C4'-P energy: -102.365
tors. eta vs tors. theta energy: -149.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -1616.201897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.201897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.201897 (E_RNA)
where:
Base-Base interactions energy: -911.600
where: short stacking energy: -518.752
Base-Backbone interact. energy: -0.105
local terms energy: -704.497097
where:
bonds (distance) C4'-P energy: -162.931
bonds (distance) P-C4' energy: -172.116
flat angles C4'-P-C4' energy: -164.945
flat angles P-C4'-P energy: -96.063
tors. eta vs tors. theta energy: -108.442
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: 10
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -1549.634696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.634696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.634696 (E_RNA)
where:
Base-Base interactions energy: -876.272
where: short stacking energy: -455.967
Base-Backbone interact. energy: 2.033
local terms energy: -675.396145
where:
bonds (distance) C4'-P energy: -158.738
bonds (distance) P-C4' energy: -169.948
flat angles C4'-P-C4' energy: -172.571
flat angles P-C4'-P energy: -85.361
tors. eta vs tors. theta energy: -88.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -1313.281597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.281597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.281597 (E_RNA)
where:
Base-Base interactions energy: -704.206
where: short stacking energy: -373.254
Base-Backbone interact. energy: -3.957
local terms energy: -605.118154
where:
bonds (distance) C4'-P energy: -142.673
bonds (distance) P-C4' energy: -169.863
flat angles C4'-P-C4' energy: -132.513
flat angles P-C4'-P energy: -95.634
tors. eta vs tors. theta energy: -64.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -1169.666859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.666859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.666859 (E_RNA)
where:
Base-Base interactions energy: -583.486
where: short stacking energy: -320.031
Base-Backbone interact. energy: -4.165
local terms energy: -582.016236
where:
bonds (distance) C4'-P energy: -135.570
bonds (distance) P-C4' energy: -165.494
flat angles C4'-P-C4' energy: -149.741
flat angles P-C4'-P energy: -76.295
tors. eta vs tors. theta energy: -54.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -920.388914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.388914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.388914 (E_RNA)
where:
Base-Base interactions energy: -421.791
where: short stacking energy: -258.276
Base-Backbone interact. energy: 5.125
local terms energy: -503.723011
where:
bonds (distance) C4'-P energy: -146.345
bonds (distance) P-C4' energy: -153.058
flat angles C4'-P-C4' energy: -105.368
flat angles P-C4'-P energy: -96.708
tors. eta vs tors. theta energy: -2.244
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: 9, replica: 9
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -719.145147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.145147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.145147 (E_RNA)
where:
Base-Base interactions energy: -266.655
where: short stacking energy: -204.264
Base-Backbone interact. energy: 2.250
local terms energy: -454.740276
where:
bonds (distance) C4'-P energy: -123.481
bonds (distance) P-C4' energy: -143.261
flat angles C4'-P-C4' energy: -121.099
flat angles P-C4'-P energy: -88.278
tors. eta vs tors. theta energy: 21.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -651.987549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.987549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.987549 (E_RNA)
where:
Base-Base interactions energy: -238.767
where: short stacking energy: -163.647
Base-Backbone interact. energy: -0.761
local terms energy: -412.459360
where:
bonds (distance) C4'-P energy: -124.402
bonds (distance) P-C4' energy: -151.952
flat angles C4'-P-C4' energy: -118.002
flat angles P-C4'-P energy: -60.529
tors. eta vs tors. theta energy: 42.425
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: 1, replica: 6
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -2316.254380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.254380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2316.254380 (E_RNA)
where:
Base-Base interactions energy: -1470.910
where: short stacking energy: -683.476
Base-Backbone interact. energy: -0.084
local terms energy: -845.260894
where:
bonds (distance) C4'-P energy: -163.797
bonds (distance) P-C4' energy: -191.847
flat angles C4'-P-C4' energy: -191.099
flat angles P-C4'-P energy: -125.200
tors. eta vs tors. theta energy: -173.318
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: 2, replica: 5
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -2136.166284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.166284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.166284 (E_RNA)
where:
Base-Base interactions energy: -1313.937
where: short stacking energy: -646.805
Base-Backbone interact. energy: 2.490
local terms energy: -824.719080
where:
bonds (distance) C4'-P energy: -179.678
bonds (distance) P-C4' energy: -184.099
flat angles C4'-P-C4' energy: -193.970
flat angles P-C4'-P energy: -117.134
tors. eta vs tors. theta energy: -149.838
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: 1
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -1783.858551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.858551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.858551 (E_RNA)
where:
Base-Base interactions energy: -992.429
where: short stacking energy: -547.495
Base-Backbone interact. energy: 3.924
local terms energy: -795.353572
where:
bonds (distance) C4'-P energy: -194.494
bonds (distance) P-C4' energy: -174.764
flat angles C4'-P-C4' energy: -175.656
flat angles P-C4'-P energy: -130.623
tors. eta vs tors. theta energy: -119.817
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: 2
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -1573.007986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.007986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.007986 (E_RNA)
where:
Base-Base interactions energy: -877.660
where: short stacking energy: -498.436
Base-Backbone interact. energy: -0.302
local terms energy: -695.045982
where:
bonds (distance) C4'-P energy: -152.069
bonds (distance) P-C4' energy: -152.392
flat angles C4'-P-C4' energy: -182.084
flat angles P-C4'-P energy: -108.207
tors. eta vs tors. theta energy: -100.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -1609.511937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1609.511937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.511937 (E_RNA)
where:
Base-Base interactions energy: -922.794
where: short stacking energy: -483.193
Base-Backbone interact. energy: 0.597
local terms energy: -687.315174
where:
bonds (distance) C4'-P energy: -164.477
bonds (distance) P-C4' energy: -172.594
flat angles C4'-P-C4' energy: -160.395
flat angles P-C4'-P energy: -93.831
tors. eta vs tors. theta energy: -96.017
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: 4
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -1347.336656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.336656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.336656 (E_RNA)
where:
Base-Base interactions energy: -748.408
where: short stacking energy: -420.515
Base-Backbone interact. energy: 2.699
local terms energy: -601.627495
where:
bonds (distance) C4'-P energy: -150.617
bonds (distance) P-C4' energy: -153.412
flat angles C4'-P-C4' energy: -145.343
flat angles P-C4'-P energy: -82.236
tors. eta vs tors. theta energy: -70.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -1205.217768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.217768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.217768 (E_RNA)
where:
Base-Base interactions energy: -634.643
where: short stacking energy: -368.017
Base-Backbone interact. energy: -0.152
local terms energy: -570.843199
where:
bonds (distance) C4'-P energy: -133.148
bonds (distance) P-C4' energy: -158.523
flat angles C4'-P-C4' energy: -144.067
flat angles P-C4'-P energy: -87.636
tors. eta vs tors. theta energy: -47.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.420 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -912.902534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.902534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.902534 (E_RNA)
where:
Base-Base interactions energy: -445.267
where: short stacking energy: -261.544
Base-Backbone interact. energy: -1.658
local terms energy: -465.977309
where:
bonds (distance) C4'-P energy: -155.241
bonds (distance) P-C4' energy: -156.142
flat angles C4'-P-C4' energy: -104.711
flat angles P-C4'-P energy: -76.493
tors. eta vs tors. theta energy: 26.610
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: 24
Temperature: 1.300000
Total energy: -738.057036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.057036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.057036 (E_RNA)
where:
Base-Base interactions energy: -276.705
where: short stacking energy: -189.638
Base-Backbone interact. energy: -0.820
local terms energy: -460.531814
where:
bonds (distance) C4'-P energy: -144.641
bonds (distance) P-C4' energy: -129.183
flat angles C4'-P-C4' energy: -130.715
flat angles P-C4'-P energy: -76.767
tors. eta vs tors. theta energy: 20.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -669.272042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.272042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.272042 (E_RNA)
where:
Base-Base interactions energy: -257.582
where: short stacking energy: -179.174
Base-Backbone interact. energy: 1.195
local terms energy: -412.885192
where:
bonds (distance) C4'-P energy: -154.732
bonds (distance) P-C4' energy: -145.211
flat angles C4'-P-C4' energy: -96.074
flat angles P-C4'-P energy: -57.757
tors. eta vs tors. theta energy: 40.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -2306.569734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2306.569734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2306.569734 (E_RNA)
where:
Base-Base interactions energy: -1457.290
where: short stacking energy: -696.768
Base-Backbone interact. energy: -2.695
local terms energy: -846.585525
where:
bonds (distance) C4'-P energy: -175.263
bonds (distance) P-C4' energy: -180.167
flat angles C4'-P-C4' energy: -182.676
flat angles P-C4'-P energy: -128.467
tors. eta vs tors. theta energy: -180.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -2219.284626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2219.284626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.284626 (E_RNA)
where:
Base-Base interactions energy: -1407.723
where: short stacking energy: -668.957
Base-Backbone interact. energy: 3.283
local terms energy: -814.844747
where:
bonds (distance) C4'-P energy: -170.235
bonds (distance) P-C4' energy: -179.488
flat angles C4'-P-C4' energy: -188.208
flat angles P-C4'-P energy: -103.556
tors. eta vs tors. theta energy: -173.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -1806.989647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.989647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.989647 (E_RNA)
where:
Base-Base interactions energy: -1053.258
where: short stacking energy: -567.176
Base-Backbone interact. energy: -0.971
local terms energy: -752.760418
where:
bonds (distance) C4'-P energy: -169.321
bonds (distance) P-C4' energy: -156.322
flat angles C4'-P-C4' energy: -181.111
flat angles P-C4'-P energy: -113.909
tors. eta vs tors. theta energy: -132.098
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: 10
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -1670.807077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.807077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.807077 (E_RNA)
where:
Base-Base interactions energy: -988.168
where: short stacking energy: -514.768
Base-Backbone interact. energy: 1.107
local terms energy: -683.745790
where:
bonds (distance) C4'-P energy: -154.441
bonds (distance) P-C4' energy: -173.957
flat angles C4'-P-C4' energy: -147.904
flat angles P-C4'-P energy: -113.935
tors. eta vs tors. theta energy: -93.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -1511.645151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.645151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.645151 (E_RNA)
where:
Base-Base interactions energy: -834.308
where: short stacking energy: -468.585
Base-Backbone interact. energy: -1.928
local terms energy: -675.409559
where:
bonds (distance) C4'-P energy: -140.536
bonds (distance) P-C4' energy: -177.283
flat angles C4'-P-C4' energy: -165.624
flat angles P-C4'-P energy: -100.554
tors. eta vs tors. theta energy: -91.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -1341.760199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.760199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.760199 (E_RNA)
where:
Base-Base interactions energy: -711.641
where: short stacking energy: -371.470
Base-Backbone interact. energy: -2.300
local terms energy: -627.819032
where:
bonds (distance) C4'-P energy: -152.401
bonds (distance) P-C4' energy: -140.108
flat angles C4'-P-C4' energy: -159.407
flat angles P-C4'-P energy: -108.037
tors. eta vs tors. theta energy: -67.866
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: 3
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -1253.819353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.819353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.819353 (E_RNA)
where:
Base-Base interactions energy: -704.963
where: short stacking energy: -381.882
Base-Backbone interact. energy: 2.652
local terms energy: -551.508827
where:
bonds (distance) C4'-P energy: -119.878
bonds (distance) P-C4' energy: -121.152
flat angles C4'-P-C4' energy: -145.666
flat angles P-C4'-P energy: -111.449
tors. eta vs tors. theta energy: -53.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -935.215131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.215131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.215131 (E_RNA)
where:
Base-Base interactions energy: -433.447
where: short stacking energy: -300.275
Base-Backbone interact. energy: -1.902
local terms energy: -499.866762
where:
bonds (distance) C4'-P energy: -128.293
bonds (distance) P-C4' energy: -141.328
flat angles C4'-P-C4' energy: -144.496
flat angles P-C4'-P energy: -72.449
tors. eta vs tors. theta energy: -13.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -789.022348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.022348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.022348 (E_RNA)
where:
Base-Base interactions energy: -331.270
where: short stacking energy: -220.474
Base-Backbone interact. energy: -0.309
local terms energy: -457.443285
where:
bonds (distance) C4'-P energy: -140.431
bonds (distance) P-C4' energy: -158.065
flat angles C4'-P-C4' energy: -127.670
flat angles P-C4'-P energy: -53.793
tors. eta vs tors. theta energy: 22.515
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: 8
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -659.686399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.686399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.686399 (E_RNA)
where:
Base-Base interactions energy: -229.824
where: short stacking energy: -178.766
Base-Backbone interact. energy: -0.608
local terms energy: -429.254221
where:
bonds (distance) C4'-P energy: -146.223
bonds (distance) P-C4' energy: -122.063
flat angles C4'-P-C4' energy: -116.157
flat angles P-C4'-P energy: -74.492
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: 1, replica: 6
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -2314.143386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.143386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2314.143386 (E_RNA)
where:
Base-Base interactions energy: -1463.840
where: short stacking energy: -725.363
Base-Backbone interact. energy: -2.709
local terms energy: -847.593945
where:
bonds (distance) C4'-P energy: -167.089
bonds (distance) P-C4' energy: -188.258
flat angles C4'-P-C4' energy: -192.441
flat angles P-C4'-P energy: -120.679
tors. eta vs tors. theta energy: -179.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -2266.437133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2266.437133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2266.437133 (E_RNA)
where:
Base-Base interactions energy: -1447.357
where: short stacking energy: -655.422
Base-Backbone interact. energy: -4.940
local terms energy: -814.139801
where:
bonds (distance) C4'-P energy: -175.891
bonds (distance) P-C4' energy: -172.799
flat angles C4'-P-C4' energy: -175.166
flat angles P-C4'-P energy: -106.643
tors. eta vs tors. theta energy: -183.641
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: 1
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -1829.454422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.454422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.454422 (E_RNA)
where:
Base-Base interactions energy: -1102.983
where: short stacking energy: -583.880
Base-Backbone interact. energy: -1.280
local terms energy: -725.191381
where:
bonds (distance) C4'-P energy: -172.154
bonds (distance) P-C4' energy: -164.353
flat angles C4'-P-C4' energy: -169.626
flat angles P-C4'-P energy: -94.081
tors. eta vs tors. theta energy: -124.977
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: 10
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -1745.141532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.141532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.141532 (E_RNA)
where:
Base-Base interactions energy: -1046.193
where: short stacking energy: -536.406
Base-Backbone interact. energy: -6.059
local terms energy: -692.889174
where:
bonds (distance) C4'-P energy: -166.438
bonds (distance) P-C4' energy: -162.985
flat angles C4'-P-C4' energy: -166.660
flat angles P-C4'-P energy: -86.335
tors. eta vs tors. theta energy: -110.472
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: 2
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -1476.555300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.555300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.555300 (E_RNA)
where:
Base-Base interactions energy: -814.288
where: short stacking energy: -448.482
Base-Backbone interact. energy: 7.474
local terms energy: -669.740786
where:
bonds (distance) C4'-P energy: -161.574
bonds (distance) P-C4' energy: -169.260
flat angles C4'-P-C4' energy: -157.072
flat angles P-C4'-P energy: -97.746
tors. eta vs tors. theta energy: -84.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -1330.910594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.910594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.910594 (E_RNA)
where:
Base-Base interactions energy: -691.235
where: short stacking energy: -380.216
Base-Backbone interact. energy: -1.992
local terms energy: -640.113578
where:
bonds (distance) C4'-P energy: -161.297
bonds (distance) P-C4' energy: -168.730
flat angles C4'-P-C4' energy: -168.498
flat angles P-C4'-P energy: -84.470
tors. eta vs tors. theta energy: -57.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.430 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -1262.633948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.633948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.633948 (E_RNA)
where:
Base-Base interactions energy: -686.498
where: short stacking energy: -346.088
Base-Backbone interact. energy: -2.988
local terms energy: -573.147233
where:
bonds (distance) C4'-P energy: -146.478
bonds (distance) P-C4' energy: -175.832
flat angles C4'-P-C4' energy: -113.669
flat angles P-C4'-P energy: -82.741
tors. eta vs tors. theta energy: -54.427
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: 7
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -933.473532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.473532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.473532 (E_RNA)
where:
Base-Base interactions energy: -427.299
where: short stacking energy: -296.108
Base-Backbone interact. energy: 4.856
local terms energy: -511.030288
where:
bonds (distance) C4'-P energy: -135.748
bonds (distance) P-C4' energy: -151.869
flat angles C4'-P-C4' energy: -131.311
flat angles P-C4'-P energy: -71.441
tors. eta vs tors. theta energy: -20.662
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: 9, replica: 8
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -764.857763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.857763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.857763 (E_RNA)
where:
Base-Base interactions energy: -326.411
where: short stacking energy: -180.967
Base-Backbone interact. energy: 0.010
local terms energy: -438.457277
where:
bonds (distance) C4'-P energy: -134.341
bonds (distance) P-C4' energy: -152.329
flat angles C4'-P-C4' energy: -107.780
flat angles P-C4'-P energy: -69.877
tors. eta vs tors. theta energy: 25.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -676.377244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.377244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.377244 (E_RNA)
where:
Base-Base interactions energy: -254.667
where: short stacking energy: -210.913
Base-Backbone interact. energy: 2.019
local terms energy: -423.729512
where:
bonds (distance) C4'-P energy: -139.749
bonds (distance) P-C4' energy: -135.012
flat angles C4'-P-C4' energy: -110.176
flat angles P-C4'-P energy: -78.552
tors. eta vs tors. theta energy: 39.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -2331.752141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2331.752141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2331.752141 (E_RNA)
where:
Base-Base interactions energy: -1495.788
where: short stacking energy: -674.998
Base-Backbone interact. energy: -1.207
local terms energy: -834.757959
where:
bonds (distance) C4'-P energy: -174.524
bonds (distance) P-C4' energy: -180.428
flat angles C4'-P-C4' energy: -175.322
flat angles P-C4'-P energy: -136.530
tors. eta vs tors. theta energy: -167.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -2280.794523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2280.794523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.794523 (E_RNA)
where:
Base-Base interactions energy: -1442.354
where: short stacking energy: -696.647
Base-Backbone interact. energy: -0.546
local terms energy: -837.894832
where:
bonds (distance) C4'-P energy: -175.184
bonds (distance) P-C4' energy: -168.013
flat angles C4'-P-C4' energy: -181.375
flat angles P-C4'-P energy: -123.502
tors. eta vs tors. theta energy: -189.821
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: 1
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -1826.511878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.511878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.511878 (E_RNA)
where:
Base-Base interactions energy: -1052.704
where: short stacking energy: -526.122
Base-Backbone interact. energy: -4.151
local terms energy: -769.656381
where:
bonds (distance) C4'-P energy: -161.537
bonds (distance) P-C4' energy: -172.145
flat angles C4'-P-C4' energy: -182.444
flat angles P-C4'-P energy: -123.200
tors. eta vs tors. theta energy: -130.330
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: 10
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -1805.044054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.044054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.044054 (E_RNA)
where:
Base-Base interactions energy: -1075.662
where: short stacking energy: -510.959
Base-Backbone interact. energy: -4.404
local terms energy: -724.978846
where:
bonds (distance) C4'-P energy: -149.836
bonds (distance) P-C4' energy: -178.843
flat angles C4'-P-C4' energy: -172.654
flat angles P-C4'-P energy: -105.566
tors. eta vs tors. theta energy: -118.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -1518.548299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.548299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.548299 (E_RNA)
where:
Base-Base interactions energy: -849.116
where: short stacking energy: -446.022
Base-Backbone interact. energy: -1.078
local terms energy: -668.355111
where:
bonds (distance) C4'-P energy: -172.566
bonds (distance) P-C4' energy: -165.887
flat angles C4'-P-C4' energy: -151.458
flat angles P-C4'-P energy: -85.420
tors. eta vs tors. theta energy: -93.025
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: 6, replica: 3
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -1425.044227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.044227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.044227 (E_RNA)
where:
Base-Base interactions energy: -819.925
where: short stacking energy: -409.580
Base-Backbone interact. energy: 0.786
local terms energy: -605.905875
where:
bonds (distance) C4'-P energy: -146.319
bonds (distance) P-C4' energy: -157.863
flat angles C4'-P-C4' energy: -135.827
flat angles P-C4'-P energy: -92.785
tors. eta vs tors. theta energy: -73.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -1195.156268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.156268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.156268 (E_RNA)
where:
Base-Base interactions energy: -654.210
where: short stacking energy: -347.151
Base-Backbone interact. energy: -0.532
local terms energy: -540.413660
where:
bonds (distance) C4'-P energy: -139.713
bonds (distance) P-C4' energy: -152.263
flat angles C4'-P-C4' energy: -141.154
flat angles P-C4'-P energy: -90.468
tors. eta vs tors. theta energy: -16.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -918.196320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.196320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.196320 (E_RNA)
where:
Base-Base interactions energy: -382.147
where: short stacking energy: -251.911
Base-Backbone interact. energy: -2.637
local terms energy: -533.412317
where:
bonds (distance) C4'-P energy: -154.211
bonds (distance) P-C4' energy: -174.173
flat angles C4'-P-C4' energy: -145.880
flat angles P-C4'-P energy: -59.121
tors. eta vs tors. theta energy: -0.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -848.372010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.372010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.372010 (E_RNA)
where:
Base-Base interactions energy: -394.528
where: short stacking energy: -234.913
Base-Backbone interact. energy: 1.590
local terms energy: -455.433570
where:
bonds (distance) C4'-P energy: -133.606
bonds (distance) P-C4' energy: -139.955
flat angles C4'-P-C4' energy: -108.636
flat angles P-C4'-P energy: -87.640
tors. eta vs tors. theta energy: 14.404
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: 10, replica: 9
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -654.669940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.669940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.669940 (E_RNA)
where:
Base-Base interactions energy: -219.036
where: short stacking energy: -169.498
Base-Backbone interact. energy: 3.078
local terms energy: -438.712245
where:
bonds (distance) C4'-P energy: -123.781
bonds (distance) P-C4' energy: -150.361
flat angles C4'-P-C4' energy: -112.059
flat angles P-C4'-P energy: -92.131
tors. eta vs tors. theta energy: 39.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -2366.060055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2366.060055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2366.060055 (E_RNA)
where:
Base-Base interactions energy: -1522.726
where: short stacking energy: -759.995
Base-Backbone interact. energy: -1.678
local terms energy: -841.656340
where:
bonds (distance) C4'-P energy: -160.103
bonds (distance) P-C4' energy: -173.658
flat angles C4'-P-C4' energy: -191.045
flat angles P-C4'-P energy: -122.430
tors. eta vs tors. theta energy: -194.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -2180.247880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.247880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2180.247880 (E_RNA)
where:
Base-Base interactions energy: -1380.840
where: short stacking energy: -638.459
Base-Backbone interact. energy: -4.964
local terms energy: -794.443851
where:
bonds (distance) C4'-P energy: -173.954
bonds (distance) P-C4' energy: -182.948
flat angles C4'-P-C4' energy: -178.552
flat angles P-C4'-P energy: -103.117
tors. eta vs tors. theta energy: -155.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -1896.771441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.771441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.771441 (E_RNA)
where:
Base-Base interactions energy: -1140.127
where: short stacking energy: -587.254
Base-Backbone interact. energy: 0.540
local terms energy: -757.184417
where:
bonds (distance) C4'-P energy: -147.923
bonds (distance) P-C4' energy: -176.481
flat angles C4'-P-C4' energy: -178.119
flat angles P-C4'-P energy: -95.233
tors. eta vs tors. theta energy: -159.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -1727.060404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.060404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.060404 (E_RNA)
where:
Base-Base interactions energy: -1042.238
where: short stacking energy: -530.629
Base-Backbone interact. energy: 4.968
local terms energy: -689.791086
where:
bonds (distance) C4'-P energy: -167.013
bonds (distance) P-C4' energy: -168.392
flat angles C4'-P-C4' energy: -163.400
flat angles P-C4'-P energy: -86.848
tors. eta vs tors. theta energy: -104.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -1540.355162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.355162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.355162 (E_RNA)
where:
Base-Base interactions energy: -867.592
where: short stacking energy: -447.107
Base-Backbone interact. energy: -1.622
local terms energy: -671.140782
where:
bonds (distance) C4'-P energy: -146.777
bonds (distance) P-C4' energy: -174.487
flat angles C4'-P-C4' energy: -160.007
flat angles P-C4'-P energy: -109.191
tors. eta vs tors. theta energy: -80.680
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: 3
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -1457.289058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.289058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.289058 (E_RNA)
where:
Base-Base interactions energy: -811.721
where: short stacking energy: -412.855
Base-Backbone interact. energy: -1.721
local terms energy: -643.847373
where:
bonds (distance) C4'-P energy: -158.525
bonds (distance) P-C4' energy: -155.880
flat angles C4'-P-C4' energy: -148.159
flat angles P-C4'-P energy: -99.930
tors. eta vs tors. theta energy: -81.353
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: 28
Temperature: 1.200000
Total energy: -1155.966552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.966552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.966552 (E_RNA)
where:
Base-Base interactions energy: -585.771
where: short stacking energy: -346.234
Base-Backbone interact. energy: 1.182
local terms energy: -571.376829
where:
bonds (distance) C4'-P energy: -136.994
bonds (distance) P-C4' energy: -169.760
flat angles C4'-P-C4' energy: -129.403
flat angles P-C4'-P energy: -100.891
tors. eta vs tors. theta energy: -34.329
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: 7
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -944.047246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.047246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.047246 (E_RNA)
where:
Base-Base interactions energy: -419.545
where: short stacking energy: -270.993
Base-Backbone interact. energy: -1.646
local terms energy: -522.856459
where:
bonds (distance) C4'-P energy: -135.852
bonds (distance) P-C4' energy: -147.255
flat angles C4'-P-C4' energy: -146.656
flat angles P-C4'-P energy: -77.092
tors. eta vs tors. theta energy: -16.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -844.798938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.798938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.798938 (E_RNA)
where:
Base-Base interactions energy: -400.408
where: short stacking energy: -215.371
Base-Backbone interact. energy: 1.652
local terms energy: -446.042209
where:
bonds (distance) C4'-P energy: -122.834
bonds (distance) P-C4' energy: -138.411
flat angles C4'-P-C4' energy: -139.408
flat angles P-C4'-P energy: -64.784
tors. eta vs tors. theta energy: 19.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -647.639322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.639322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.639322 (E_RNA)
where:
Base-Base interactions energy: -220.007
where: short stacking energy: -182.712
Base-Backbone interact. energy: 0.015
local terms energy: -427.646566
where:
bonds (distance) C4'-P energy: -145.143
bonds (distance) P-C4' energy: -117.721
flat angles C4'-P-C4' energy: -115.396
flat angles P-C4'-P energy: -73.897
tors. eta vs tors. theta energy: 24.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -2341.013578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2341.013578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.013578 (E_RNA)
where:
Base-Base interactions energy: -1444.386
where: short stacking energy: -705.168
Base-Backbone interact. energy: -3.665
local terms energy: -892.961938
where:
bonds (distance) C4'-P energy: -190.029
bonds (distance) P-C4' energy: -184.668
flat angles C4'-P-C4' energy: -194.971
flat angles P-C4'-P energy: -128.413
tors. eta vs tors. theta energy: -194.881
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: 29
Temperature: 0.950000
Total energy: -2201.444033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2201.444033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.444033 (E_RNA)
where:
Base-Base interactions energy: -1401.134
where: short stacking energy: -613.470
Base-Backbone interact. energy: -3.371
local terms energy: -796.939080
where:
bonds (distance) C4'-P energy: -177.354
bonds (distance) P-C4' energy: -178.254
flat angles C4'-P-C4' energy: -173.821
flat angles P-C4'-P energy: -112.496
tors. eta vs tors. theta energy: -155.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -1962.684053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.684053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.684053 (E_RNA)
where:
Base-Base interactions energy: -1212.295
where: short stacking energy: -614.428
Base-Backbone interact. energy: -2.041
local terms energy: -748.347624
where:
bonds (distance) C4'-P energy: -161.751
bonds (distance) P-C4' energy: -158.945
flat angles C4'-P-C4' energy: -172.978
flat angles P-C4'-P energy: -100.194
tors. eta vs tors. theta energy: -154.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -1765.234122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.234122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.234122 (E_RNA)
where:
Base-Base interactions energy: -1053.149
where: short stacking energy: -517.669
Base-Backbone interact. energy: -3.064
local terms energy: -709.021212
where:
bonds (distance) C4'-P energy: -172.017
bonds (distance) P-C4' energy: -160.871
flat angles C4'-P-C4' energy: -172.878
flat angles P-C4'-P energy: -88.120
tors. eta vs tors. theta energy: -115.135
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: 5, replica: 2
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -1513.941533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.941533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.941533 (E_RNA)
where:
Base-Base interactions energy: -867.432
where: short stacking energy: -439.245
Base-Backbone interact. energy: -0.245
local terms energy: -646.264476
where:
bonds (distance) C4'-P energy: -146.714
bonds (distance) P-C4' energy: -176.079
flat angles C4'-P-C4' energy: -146.980
flat angles P-C4'-P energy: -81.976
tors. eta vs tors. theta energy: -94.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -1406.075829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.075829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.075829 (E_RNA)
where:
Base-Base interactions energy: -748.278
where: short stacking energy: -395.367
Base-Backbone interact. energy: -4.197
local terms energy: -653.600701
where:
bonds (distance) C4'-P energy: -162.273
bonds (distance) P-C4' energy: -166.968
flat angles C4'-P-C4' energy: -163.150
flat angles P-C4'-P energy: -99.318
tors. eta vs tors. theta energy: -61.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -1188.435460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.435460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.435460 (E_RNA)
where:
Base-Base interactions energy: -577.517
where: short stacking energy: -339.172
Base-Backbone interact. energy: -1.827
local terms energy: -609.091476
where:
bonds (distance) C4'-P energy: -158.207
bonds (distance) P-C4' energy: -141.814
flat angles C4'-P-C4' energy: -147.817
flat angles P-C4'-P energy: -105.106
tors. eta vs tors. theta energy: -56.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -940.428433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.428433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.428433 (E_RNA)
where:
Base-Base interactions energy: -398.164
where: short stacking energy: -274.493
Base-Backbone interact. energy: -3.056
local terms energy: -539.208990
where:
bonds (distance) C4'-P energy: -151.285
bonds (distance) P-C4' energy: -157.020
flat angles C4'-P-C4' energy: -123.187
flat angles P-C4'-P energy: -89.880
tors. eta vs tors. theta energy: -17.837
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: 8
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -886.175949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.175949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.175949 (E_RNA)
where:
Base-Base interactions energy: -426.430
where: short stacking energy: -249.070
Base-Backbone interact. energy: 4.146
local terms energy: -463.891775
where:
bonds (distance) C4'-P energy: -126.691
bonds (distance) P-C4' energy: -147.046
flat angles C4'-P-C4' energy: -108.342
flat angles P-C4'-P energy: -83.887
tors. eta vs tors. theta energy: 2.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -667.565988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.565988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.565988 (E_RNA)
where:
Base-Base interactions energy: -207.140
where: short stacking energy: -163.093
Base-Backbone interact. energy: 9.563
local terms energy: -469.989071
where:
bonds (distance) C4'-P energy: -148.517
bonds (distance) P-C4' energy: -175.659
flat angles C4'-P-C4' energy: -98.914
flat angles P-C4'-P energy: -70.453
tors. eta vs tors. theta energy: 23.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -2386.241816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2386.241816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2386.241816 (E_RNA)
where:
Base-Base interactions energy: -1520.383
where: short stacking energy: -728.817
Base-Backbone interact. energy: -4.395
local terms energy: -861.464058
where:
bonds (distance) C4'-P energy: -174.551
bonds (distance) P-C4' energy: -179.162
flat angles C4'-P-C4' energy: -190.641
flat angles P-C4'-P energy: -112.862
tors. eta vs tors. theta energy: -204.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -2272.119562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2272.119562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2272.119562 (E_RNA)
where:
Base-Base interactions energy: -1459.649
where: short stacking energy: -654.199
Base-Backbone interact. energy: -3.152
local terms energy: -809.318294
where:
bonds (distance) C4'-P energy: -179.538
bonds (distance) P-C4' energy: -181.766
flat angles C4'-P-C4' energy: -179.954
flat angles P-C4'-P energy: -112.784
tors. eta vs tors. theta energy: -155.277
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: 1
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -2000.805865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.805865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.805865 (E_RNA)
where:
Base-Base interactions energy: -1242.845
where: short stacking energy: -622.928
Base-Backbone interact. energy: -4.257
local terms energy: -753.703224
where:
bonds (distance) C4'-P energy: -150.656
bonds (distance) P-C4' energy: -173.435
flat angles C4'-P-C4' energy: -167.892
flat angles P-C4'-P energy: -115.076
tors. eta vs tors. theta energy: -146.645
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: 4, replica: 10
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -1737.973043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.973043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.973043 (E_RNA)
where:
Base-Base interactions energy: -1049.709
where: short stacking energy: -494.546
Base-Backbone interact. energy: -3.043
local terms energy: -685.221043
where:
bonds (distance) C4'-P energy: -143.313
bonds (distance) P-C4' energy: -177.779
flat angles C4'-P-C4' energy: -151.386
flat angles P-C4'-P energy: -106.073
tors. eta vs tors. theta energy: -106.671
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: 2
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -1576.967505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.967505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.967505 (E_RNA)
where:
Base-Base interactions energy: -885.950
where: short stacking energy: -483.166
Base-Backbone interact. energy: 4.203
local terms energy: -695.220749
where:
bonds (distance) C4'-P energy: -169.727
bonds (distance) P-C4' energy: -172.025
flat angles C4'-P-C4' energy: -154.639
flat angles P-C4'-P energy: -91.117
tors. eta vs tors. theta energy: -107.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -1514.483394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.483394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1514.483394 (E_RNA)
where:
Base-Base interactions energy: -892.911
where: short stacking energy: -469.007
Base-Backbone interact. energy: 2.870
local terms energy: -624.442245
where:
bonds (distance) C4'-P energy: -146.978
bonds (distance) P-C4' energy: -163.331
flat angles C4'-P-C4' energy: -166.045
flat angles P-C4'-P energy: -73.251
tors. eta vs tors. theta energy: -74.837
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: 30
Temperature: 1.200000
Total energy: -1145.473496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.473496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.473496 (E_RNA)
where:
Base-Base interactions energy: -604.400
where: short stacking energy: -329.061
Base-Backbone interact. energy: 1.501
local terms energy: -542.574169
where:
bonds (distance) C4'-P energy: -128.864
bonds (distance) P-C4' energy: -168.384
flat angles C4'-P-C4' energy: -138.270
flat angles P-C4'-P energy: -82.335
tors. eta vs tors. theta energy: -24.721
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: 7
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -1011.872113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.872113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.872113 (E_RNA)
where:
Base-Base interactions energy: -491.513
where: short stacking energy: -311.721
Base-Backbone interact. energy: 5.981
local terms energy: -526.340668
where:
bonds (distance) C4'-P energy: -141.120
bonds (distance) P-C4' energy: -149.503
flat angles C4'-P-C4' energy: -143.779
flat angles P-C4'-P energy: -86.826
tors. eta vs tors. theta energy: -5.112
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: 8
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -888.607894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.607894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.607894 (E_RNA)
where:
Base-Base interactions energy: -393.142
where: short stacking energy: -224.483
Base-Backbone interact. energy: 0.897
local terms energy: -496.363087
where:
bonds (distance) C4'-P energy: -122.442
bonds (distance) P-C4' energy: -163.832
flat angles C4'-P-C4' energy: -161.546
flat angles P-C4'-P energy: -78.001
tors. eta vs tors. theta energy: 29.458
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: 30
Temperature: 1.350000
Total energy: -668.456910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.456910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.456910 (E_RNA)
where:
Base-Base interactions energy: -262.766
where: short stacking energy: -181.283
Base-Backbone interact. energy: -2.178
local terms energy: -403.513536
where:
bonds (distance) C4'-P energy: -158.424
bonds (distance) P-C4' energy: -127.277
flat angles C4'-P-C4' energy: -98.743
flat angles P-C4'-P energy: -56.560
tors. eta vs tors. theta energy: 37.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -2348.361198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2348.361198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2348.361198 (E_RNA)
where:
Base-Base interactions energy: -1491.613
where: short stacking energy: -677.767
Base-Backbone interact. energy: -1.038
local terms energy: -855.710328
where:
bonds (distance) C4'-P energy: -158.199
bonds (distance) P-C4' energy: -188.547
flat angles C4'-P-C4' energy: -197.408
flat angles P-C4'-P energy: -121.321
tors. eta vs tors. theta energy: -190.236
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: 6
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -2270.710796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2270.710796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2270.710796 (E_RNA)
where:
Base-Base interactions energy: -1473.000
where: short stacking energy: -655.365
Base-Backbone interact. energy: 0.489
local terms energy: -798.199882
where:
bonds (distance) C4'-P energy: -156.666
bonds (distance) P-C4' energy: -183.879
flat angles C4'-P-C4' energy: -187.294
flat angles P-C4'-P energy: -116.203
tors. eta vs tors. theta energy: -154.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -2034.227605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.227605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.227605 (E_RNA)
where:
Base-Base interactions energy: -1285.355
where: short stacking energy: -632.015
Base-Backbone interact. energy: 1.299
local terms energy: -750.172013
where:
bonds (distance) C4'-P energy: -158.050
bonds (distance) P-C4' energy: -149.578
flat angles C4'-P-C4' energy: -187.295
flat angles P-C4'-P energy: -100.839
tors. eta vs tors. theta energy: -154.410
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: 31
Temperature: 1.050000
Total energy: -1766.863017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.863017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.863017 (E_RNA)
where:
Base-Base interactions energy: -1054.833
where: short stacking energy: -497.741
Base-Backbone interact. energy: -4.076
local terms energy: -707.953458
where:
bonds (distance) C4'-P energy: -160.341
bonds (distance) P-C4' energy: -153.149
flat angles C4'-P-C4' energy: -188.256
flat angles P-C4'-P energy: -98.797
tors. eta vs tors. theta energy: -107.410
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: 5, replica: 2
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -1582.977321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.977321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.977321 (E_RNA)
where:
Base-Base interactions energy: -873.372
where: short stacking energy: -480.079
Base-Backbone interact. energy: 4.224
local terms energy: -713.828610
where:
bonds (distance) C4'-P energy: -165.749
bonds (distance) P-C4' energy: -183.219
flat angles C4'-P-C4' energy: -162.183
flat angles P-C4'-P energy: -110.694
tors. eta vs tors. theta energy: -91.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -1544.923099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.923099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.923099 (E_RNA)
where:
Base-Base interactions energy: -909.453
where: short stacking energy: -479.091
Base-Backbone interact. energy: -5.156
local terms energy: -630.314525
where:
bonds (distance) C4'-P energy: -149.094
bonds (distance) P-C4' energy: -149.567
flat angles C4'-P-C4' energy: -164.105
flat angles P-C4'-P energy: -84.554
tors. eta vs tors. theta energy: -82.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -1146.705478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.705478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.705478 (E_RNA)
where:
Base-Base interactions energy: -579.356
where: short stacking energy: -355.386
Base-Backbone interact. energy: -2.719
local terms energy: -564.629967
where:
bonds (distance) C4'-P energy: -146.334
bonds (distance) P-C4' energy: -159.435
flat angles C4'-P-C4' energy: -125.166
flat angles P-C4'-P energy: -75.417
tors. eta vs tors. theta energy: -58.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -1055.641871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.641871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.641871 (E_RNA)
where:
Base-Base interactions energy: -511.708
where: short stacking energy: -299.812
Base-Backbone interact. energy: -0.333
local terms energy: -543.601687
where:
bonds (distance) C4'-P energy: -135.455
bonds (distance) P-C4' energy: -166.010
flat angles C4'-P-C4' energy: -131.870
flat angles P-C4'-P energy: -93.981
tors. eta vs tors. theta energy: -16.285
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: 8
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -1057.628466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.628466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.628466 (E_RNA)
where:
Base-Base interactions energy: -571.102
where: short stacking energy: -293.703
Base-Backbone interact. energy: 0.252
local terms energy: -486.777701
where:
bonds (distance) C4'-P energy: -136.675
bonds (distance) P-C4' energy: -139.368
flat angles C4'-P-C4' energy: -139.180
flat angles P-C4'-P energy: -56.415
tors. eta vs tors. theta energy: -15.140
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: 10, replica: 9
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -688.487104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.487104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.487104 (E_RNA)
where:
Base-Base interactions energy: -277.355
where: short stacking energy: -179.465
Base-Backbone interact. energy: 4.464
local terms energy: -415.596880
where:
bonds (distance) C4'-P energy: -121.602
bonds (distance) P-C4' energy: -138.293
flat angles C4'-P-C4' energy: -124.967
flat angles P-C4'-P energy: -78.665
tors. eta vs tors. theta energy: 47.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -2392.979615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2392.979615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2392.979615 (E_RNA)
where:
Base-Base interactions energy: -1511.367
where: short stacking energy: -702.043
Base-Backbone interact. energy: -0.750
local terms energy: -880.863231
where:
bonds (distance) C4'-P energy: -182.706
bonds (distance) P-C4' energy: -180.031
flat angles C4'-P-C4' energy: -198.583
flat angles P-C4'-P energy: -121.561
tors. eta vs tors. theta energy: -197.982
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: 32
Temperature: 0.950000
Total energy: -2329.150169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2329.150169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2329.150169 (E_RNA)
where:
Base-Base interactions energy: -1504.462
where: short stacking energy: -702.001
Base-Backbone interact. energy: 0.886
local terms energy: -825.574269
where:
bonds (distance) C4'-P energy: -164.448
bonds (distance) P-C4' energy: -171.162
flat angles C4'-P-C4' energy: -179.456
flat angles P-C4'-P energy: -135.180
tors. eta vs tors. theta energy: -175.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -2089.231228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.231228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2089.231228 (E_RNA)
where:
Base-Base interactions energy: -1304.648
where: short stacking energy: -637.977
Base-Backbone interact. energy: -1.231
local terms energy: -783.352141
where:
bonds (distance) C4'-P energy: -167.527
bonds (distance) P-C4' energy: -168.023
flat angles C4'-P-C4' energy: -170.674
flat angles P-C4'-P energy: -107.460
tors. eta vs tors. theta energy: -169.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -1897.168416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.168416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.168416 (E_RNA)
where:
Base-Base interactions energy: -1165.048
where: short stacking energy: -548.613
Base-Backbone interact. energy: -1.709
local terms energy: -730.412072
where:
bonds (distance) C4'-P energy: -176.488
bonds (distance) P-C4' energy: -169.619
flat angles C4'-P-C4' energy: -147.288
flat angles P-C4'-P energy: -109.341
tors. eta vs tors. theta energy: -127.677
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: 3
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -1723.966753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.966753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.966753 (E_RNA)
where:
Base-Base interactions energy: -1030.920
where: short stacking energy: -533.345
Base-Backbone interact. energy: 4.531
local terms energy: -697.577966
where:
bonds (distance) C4'-P energy: -135.303
bonds (distance) P-C4' energy: -172.859
flat angles C4'-P-C4' energy: -166.233
flat angles P-C4'-P energy: -101.504
tors. eta vs tors. theta energy: -121.679
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: 2
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -1549.278233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.278233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.278233 (E_RNA)
where:
Base-Base interactions energy: -922.017
where: short stacking energy: -500.306
Base-Backbone interact. energy: -0.843
local terms energy: -626.418427
where:
bonds (distance) C4'-P energy: -134.195
bonds (distance) P-C4' energy: -148.250
flat angles C4'-P-C4' energy: -169.189
flat angles P-C4'-P energy: -86.749
tors. eta vs tors. theta energy: -88.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -1128.381311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.381311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.381311 (E_RNA)
where:
Base-Base interactions energy: -542.933
where: short stacking energy: -327.336
Base-Backbone interact. energy: -0.836
local terms energy: -584.612611
where:
bonds (distance) C4'-P energy: -143.680
bonds (distance) P-C4' energy: -177.234
flat angles C4'-P-C4' energy: -139.162
flat angles P-C4'-P energy: -97.501
tors. eta vs tors. theta energy: -27.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -1028.498116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.498116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.498116 (E_RNA)
where:
Base-Base interactions energy: -506.228
where: short stacking energy: -304.895
Base-Backbone interact. energy: 2.718
local terms energy: -524.987635
where:
bonds (distance) C4'-P energy: -137.462
bonds (distance) P-C4' energy: -146.949
flat angles C4'-P-C4' energy: -151.966
flat angles P-C4'-P energy: -74.398
tors. eta vs tors. theta energy: -14.213
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: 8
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -1043.637328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.637328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.637328 (E_RNA)
where:
Base-Base interactions energy: -557.079
where: short stacking energy: -297.409
Base-Backbone interact. energy: 0.657
local terms energy: -487.215754
where:
bonds (distance) C4'-P energy: -141.294
bonds (distance) P-C4' energy: -150.559
flat angles C4'-P-C4' energy: -102.041
flat angles P-C4'-P energy: -89.639
tors. eta vs tors. theta energy: -3.682
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: 9
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -648.279381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.279381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.279381 (E_RNA)
where:
Base-Base interactions energy: -227.482
where: short stacking energy: -197.917
Base-Backbone interact. energy: 7.127
local terms energy: -427.924121
where:
bonds (distance) C4'-P energy: -129.599
bonds (distance) P-C4' energy: -132.968
flat angles C4'-P-C4' energy: -131.080
flat angles P-C4'-P energy: -59.772
tors. eta vs tors. theta energy: 25.494
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: 5
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -2372.145863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.145863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2372.145863 (E_RNA)
where:
Base-Base interactions energy: -1498.182
where: short stacking energy: -725.542
Base-Backbone interact. energy: -3.626
local terms energy: -870.337431
where:
bonds (distance) C4'-P energy: -175.795
bonds (distance) P-C4' energy: -195.965
flat angles C4'-P-C4' energy: -196.033
flat angles P-C4'-P energy: -114.516
tors. eta vs tors. theta energy: -188.028
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: 33
Temperature: 0.950000
Total energy: -2292.602140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.602140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2292.602140 (E_RNA)
where:
Base-Base interactions energy: -1473.169
where: short stacking energy: -667.662
Base-Backbone interact. energy: -3.213
local terms energy: -816.220509
where:
bonds (distance) C4'-P energy: -171.793
bonds (distance) P-C4' energy: -174.861
flat angles C4'-P-C4' energy: -178.486
flat angles P-C4'-P energy: -120.221
tors. eta vs tors. theta energy: -170.861
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: 3, replica: 1
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -2143.290851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2143.290851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2143.290851 (E_RNA)
where:
Base-Base interactions energy: -1356.900
where: short stacking energy: -674.282
Base-Backbone interact. energy: -6.310
local terms energy: -780.081231
where:
bonds (distance) C4'-P energy: -156.351
bonds (distance) P-C4' energy: -173.733
flat angles C4'-P-C4' energy: -170.412
flat angles P-C4'-P energy: -105.193
tors. eta vs tors. theta energy: -174.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -1944.068147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.068147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.068147 (E_RNA)
where:
Base-Base interactions energy: -1238.537
where: short stacking energy: -592.153
Base-Backbone interact. energy: 2.415
local terms energy: -707.946542
where:
bonds (distance) C4'-P energy: -158.653
bonds (distance) P-C4' energy: -167.428
flat angles C4'-P-C4' energy: -162.384
flat angles P-C4'-P energy: -93.603
tors. eta vs tors. theta energy: -125.878
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: 3
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -1747.647351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.647351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.647351 (E_RNA)
where:
Base-Base interactions energy: -1066.361
where: short stacking energy: -521.068
Base-Backbone interact. energy: 1.444
local terms energy: -682.729869
where:
bonds (distance) C4'-P energy: -154.838
bonds (distance) P-C4' energy: -160.954
flat angles C4'-P-C4' energy: -160.268
flat angles P-C4'-P energy: -96.215
tors. eta vs tors. theta energy: -110.456
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: 2
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -1460.695249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.695249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.695249 (E_RNA)
where:
Base-Base interactions energy: -812.949
where: short stacking energy: -428.855
Base-Backbone interact. energy: 1.617
local terms energy: -649.362527
where:
bonds (distance) C4'-P energy: -150.996
bonds (distance) P-C4' energy: -154.121
flat angles C4'-P-C4' energy: -150.787
flat angles P-C4'-P energy: -115.618
tors. eta vs tors. theta energy: -77.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -1117.458508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.458508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.458508 (E_RNA)
where:
Base-Base interactions energy: -566.909
where: short stacking energy: -333.647
Base-Backbone interact. energy: 5.195
local terms energy: -555.744424
where:
bonds (distance) C4'-P energy: -145.267
bonds (distance) P-C4' energy: -156.062
flat angles C4'-P-C4' energy: -136.341
flat angles P-C4'-P energy: -93.482
tors. eta vs tors. theta energy: -24.591
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: 8
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -1126.685218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.685218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.685218 (E_RNA)
where:
Base-Base interactions energy: -568.679
where: short stacking energy: -329.220
Base-Backbone interact. energy: -3.905
local terms energy: -554.101256
where:
bonds (distance) C4'-P energy: -145.207
bonds (distance) P-C4' energy: -169.993
flat angles C4'-P-C4' energy: -129.840
flat angles P-C4'-P energy: -65.083
tors. eta vs tors. theta energy: -43.977
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: 9, replica: 4
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -955.648590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.648590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.648590 (E_RNA)
where:
Base-Base interactions energy: -475.245
where: short stacking energy: -249.351
Base-Backbone interact. energy: -0.192
local terms energy: -480.211465
where:
bonds (distance) C4'-P energy: -140.679
bonds (distance) P-C4' energy: -142.987
flat angles C4'-P-C4' energy: -124.468
flat angles P-C4'-P energy: -80.398
tors. eta vs tors. theta energy: 8.321
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: 33
Temperature: 1.350000
Total energy: -652.228928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.228928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.228928 (E_RNA)
where:
Base-Base interactions energy: -199.196
where: short stacking energy: -177.318
Base-Backbone interact. energy: 3.719
local terms energy: -456.752690
where:
bonds (distance) C4'-P energy: -119.476
bonds (distance) P-C4' energy: -143.169
flat angles C4'-P-C4' energy: -115.845
flat angles P-C4'-P energy: -96.084
tors. eta vs tors. theta energy: 17.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -2359.927183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2359.927183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2359.927183 (E_RNA)
where:
Base-Base interactions energy: -1518.378
where: short stacking energy: -706.832
Base-Backbone interact. energy: -5.138
local terms energy: -836.411734
where:
bonds (distance) C4'-P energy: -176.940
bonds (distance) P-C4' energy: -184.823
flat angles C4'-P-C4' energy: -180.378
flat angles P-C4'-P energy: -117.336
tors. eta vs tors. theta energy: -176.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -2264.704636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2264.704636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2264.704636 (E_RNA)
where:
Base-Base interactions energy: -1466.729
where: short stacking energy: -679.895
Base-Backbone interact. energy: -1.751
local terms energy: -796.224486
where:
bonds (distance) C4'-P energy: -159.814
bonds (distance) P-C4' energy: -161.559
flat angles C4'-P-C4' energy: -197.540
flat angles P-C4'-P energy: -115.066
tors. eta vs tors. theta energy: -162.245
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: 1
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -2085.062869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.062869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.062869 (E_RNA)
where:
Base-Base interactions energy: -1303.754
where: short stacking energy: -645.351
Base-Backbone interact. energy: -3.632
local terms energy: -777.676345
where:
bonds (distance) C4'-P energy: -159.818
bonds (distance) P-C4' energy: -178.134
flat angles C4'-P-C4' energy: -185.504
flat angles P-C4'-P energy: -97.263
tors. eta vs tors. theta energy: -156.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -2007.066168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.066168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.066168 (E_RNA)
where:
Base-Base interactions energy: -1260.194
where: short stacking energy: -594.560
Base-Backbone interact. energy: 4.008
local terms energy: -750.879325
where:
bonds (distance) C4'-P energy: -171.078
bonds (distance) P-C4' energy: -165.553
flat angles C4'-P-C4' energy: -181.417
flat angles P-C4'-P energy: -107.106
tors. eta vs tors. theta energy: -125.725
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: 5, replica: 3
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -1802.207371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.207371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.207371 (E_RNA)
where:
Base-Base interactions energy: -1089.052
where: short stacking energy: -521.775
Base-Backbone interact. energy: -1.135
local terms energy: -712.020899
where:
bonds (distance) C4'-P energy: -157.722
bonds (distance) P-C4' energy: -168.657
flat angles C4'-P-C4' energy: -158.932
flat angles P-C4'-P energy: -114.439
tors. eta vs tors. theta energy: -112.271
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: 2
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -1445.808597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.808597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.808597 (E_RNA)
where:
Base-Base interactions energy: -798.558
where: short stacking energy: -420.123
Base-Backbone interact. energy: -0.056
local terms energy: -647.194642
where:
bonds (distance) C4'-P energy: -160.238
bonds (distance) P-C4' energy: -170.027
flat angles C4'-P-C4' energy: -150.930
flat angles P-C4'-P energy: -93.623
tors. eta vs tors. theta energy: -72.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -1178.045106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.045106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.045106 (E_RNA)
where:
Base-Base interactions energy: -604.202
where: short stacking energy: -325.143
Base-Backbone interact. energy: 0.203
local terms energy: -574.046519
where:
bonds (distance) C4'-P energy: -158.384
bonds (distance) P-C4' energy: -143.532
flat angles C4'-P-C4' energy: -152.790
flat angles P-C4'-P energy: -88.701
tors. eta vs tors. theta energy: -30.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -1128.452495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.452495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.452495 (E_RNA)
where:
Base-Base interactions energy: -632.723
where: short stacking energy: -322.420
Base-Backbone interact. energy: 0.453
local terms energy: -496.182716
where:
bonds (distance) C4'-P energy: -123.430
bonds (distance) P-C4' energy: -154.552
flat angles C4'-P-C4' energy: -134.041
flat angles P-C4'-P energy: -55.006
tors. eta vs tors. theta energy: -29.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -875.697910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.697910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.697910 (E_RNA)
where:
Base-Base interactions energy: -393.767
where: short stacking energy: -241.213
Base-Backbone interact. energy: 2.119
local terms energy: -484.049412
where:
bonds (distance) C4'-P energy: -131.278
bonds (distance) P-C4' energy: -147.873
flat angles C4'-P-C4' energy: -133.224
flat angles P-C4'-P energy: -71.553
tors. eta vs tors. theta energy: -0.121
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: 9
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -649.907157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.907157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.907157 (E_RNA)
where:
Base-Base interactions energy: -261.059
where: short stacking energy: -165.187
Base-Backbone interact. energy: 0.508
local terms energy: -389.356131
where:
bonds (distance) C4'-P energy: -139.278
bonds (distance) P-C4' energy: -148.377
flat angles C4'-P-C4' energy: -74.516
flat angles P-C4'-P energy: -69.647
tors. eta vs tors. theta energy: 42.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -2354.550447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2354.550447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.550447 (E_RNA)
where:
Base-Base interactions energy: -1535.120
where: short stacking energy: -715.099
Base-Backbone interact. energy: 4.929
local terms energy: -824.359435
where:
bonds (distance) C4'-P energy: -150.836
bonds (distance) P-C4' energy: -179.861
flat angles C4'-P-C4' energy: -190.447
flat angles P-C4'-P energy: -106.403
tors. eta vs tors. theta energy: -196.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -2207.831992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.831992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.831992 (E_RNA)
where:
Base-Base interactions energy: -1427.198
where: short stacking energy: -654.697
Base-Backbone interact. energy: -0.220
local terms energy: -780.413451
where:
bonds (distance) C4'-P energy: -172.202
bonds (distance) P-C4' energy: -163.131
flat angles C4'-P-C4' energy: -172.086
flat angles P-C4'-P energy: -112.853
tors. eta vs tors. theta energy: -160.141
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: 1
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -2090.885178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.885178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.885178 (E_RNA)
where:
Base-Base interactions energy: -1314.961
where: short stacking energy: -625.347
Base-Backbone interact. energy: -3.749
local terms energy: -772.174534
where:
bonds (distance) C4'-P energy: -181.130
bonds (distance) P-C4' energy: -149.491
flat angles C4'-P-C4' energy: -174.214
flat angles P-C4'-P energy: -107.000
tors. eta vs tors. theta energy: -160.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -1966.345233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.345233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.345233 (E_RNA)
where:
Base-Base interactions energy: -1214.750
where: short stacking energy: -605.209
Base-Backbone interact. energy: -2.836
local terms energy: -748.759214
where:
bonds (distance) C4'-P energy: -144.669
bonds (distance) P-C4' energy: -175.450
flat angles C4'-P-C4' energy: -173.107
flat angles P-C4'-P energy: -102.837
tors. eta vs tors. theta energy: -152.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -1825.683707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.683707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.683707 (E_RNA)
where:
Base-Base interactions energy: -1122.623
where: short stacking energy: -581.576
Base-Backbone interact. energy: -2.076
local terms energy: -700.984541
where:
bonds (distance) C4'-P energy: -163.800
bonds (distance) P-C4' energy: -149.986
flat angles C4'-P-C4' energy: -169.730
flat angles P-C4'-P energy: -81.539
tors. eta vs tors. theta energy: -135.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -1426.200203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.200203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.200203 (E_RNA)
where:
Base-Base interactions energy: -809.435
where: short stacking energy: -429.167
Base-Backbone interact. energy: 2.355
local terms energy: -619.119616
where:
bonds (distance) C4'-P energy: -151.603
bonds (distance) P-C4' energy: -140.896
flat angles C4'-P-C4' energy: -164.411
flat angles P-C4'-P energy: -89.638
tors. eta vs tors. theta energy: -72.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -1278.074856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.074856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.074856 (E_RNA)
where:
Base-Base interactions energy: -709.892
where: short stacking energy: -386.924
Base-Backbone interact. energy: 0.468
local terms energy: -568.650361
where:
bonds (distance) C4'-P energy: -151.697
bonds (distance) P-C4' energy: -151.186
flat angles C4'-P-C4' energy: -132.488
flat angles P-C4'-P energy: -89.615
tors. eta vs tors. theta energy: -43.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -1063.774639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.774639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.774639 (E_RNA)
where:
Base-Base interactions energy: -567.787
where: short stacking energy: -315.958
Base-Backbone interact. energy: -2.258
local terms energy: -493.729867
where:
bonds (distance) C4'-P energy: -125.551
bonds (distance) P-C4' energy: -160.931
flat angles C4'-P-C4' energy: -129.571
flat angles P-C4'-P energy: -65.528
tors. eta vs tors. theta energy: -12.148
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: 9, replica: 4
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -847.644880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.644880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.644880 (E_RNA)
where:
Base-Base interactions energy: -364.359
where: short stacking energy: -196.575
Base-Backbone interact. energy: 3.036
local terms energy: -486.321374
where:
bonds (distance) C4'-P energy: -145.391
bonds (distance) P-C4' energy: -161.875
flat angles C4'-P-C4' energy: -119.620
flat angles P-C4'-P energy: -66.543
tors. eta vs tors. theta energy: 7.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -627.948194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.948194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.948194 (E_RNA)
where:
Base-Base interactions energy: -225.042
where: short stacking energy: -169.239
Base-Backbone interact. energy: -2.600
local terms energy: -400.306807
where:
bonds (distance) C4'-P energy: -118.328
bonds (distance) P-C4' energy: -151.538
flat angles C4'-P-C4' energy: -109.238
flat angles P-C4'-P energy: -51.873
tors. eta vs tors. theta energy: 30.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -2354.174726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2354.174726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.174726 (E_RNA)
where:
Base-Base interactions energy: -1515.691
where: short stacking energy: -693.211
Base-Backbone interact. energy: -2.968
local terms energy: -835.515675
where:
bonds (distance) C4'-P energy: -162.131
bonds (distance) P-C4' energy: -195.779
flat angles C4'-P-C4' energy: -188.669
flat angles P-C4'-P energy: -106.120
tors. eta vs tors. theta energy: -182.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -2298.069733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.069733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2298.069733 (E_RNA)
where:
Base-Base interactions energy: -1498.175
where: short stacking energy: -653.784
Base-Backbone interact. energy: -0.581
local terms energy: -799.314714
where:
bonds (distance) C4'-P energy: -163.402
bonds (distance) P-C4' energy: -185.045
flat angles C4'-P-C4' energy: -169.862
flat angles P-C4'-P energy: -124.537
tors. eta vs tors. theta energy: -156.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -2066.491735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.491735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.491735 (E_RNA)
where:
Base-Base interactions energy: -1292.303
where: short stacking energy: -594.155
Base-Backbone interact. energy: 0.676
local terms energy: -774.864270
where:
bonds (distance) C4'-P energy: -171.820
bonds (distance) P-C4' energy: -172.652
flat angles C4'-P-C4' energy: -177.542
flat angles P-C4'-P energy: -109.273
tors. eta vs tors. theta energy: -143.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -1997.083950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.083950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.083950 (E_RNA)
where:
Base-Base interactions energy: -1264.220
where: short stacking energy: -607.158
Base-Backbone interact. energy: -1.187
local terms energy: -731.677449
where:
bonds (distance) C4'-P energy: -153.717
bonds (distance) P-C4' energy: -152.808
flat angles C4'-P-C4' energy: -169.448
flat angles P-C4'-P energy: -96.517
tors. eta vs tors. theta energy: -159.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -1909.814403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.814403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.814403 (E_RNA)
where:
Base-Base interactions energy: -1215.240
where: short stacking energy: -572.586
Base-Backbone interact. energy: 5.062
local terms energy: -699.636537
where:
bonds (distance) C4'-P energy: -138.195
bonds (distance) P-C4' energy: -155.884
flat angles C4'-P-C4' energy: -162.612
flat angles P-C4'-P energy: -93.723
tors. eta vs tors. theta energy: -149.223
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: 2
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -1447.374353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.374353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.374353 (E_RNA)
where:
Base-Base interactions energy: -799.121
where: short stacking energy: -428.758
Base-Backbone interact. energy: -1.308
local terms energy: -646.945378
where:
bonds (distance) C4'-P energy: -178.613
bonds (distance) P-C4' energy: -133.797
flat angles C4'-P-C4' energy: -159.360
flat angles P-C4'-P energy: -104.316
tors. eta vs tors. theta energy: -70.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -1165.634563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.634563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.634563 (E_RNA)
where:
Base-Base interactions energy: -611.537
where: short stacking energy: -321.424
Base-Backbone interact. energy: -0.110
local terms energy: -553.987672
where:
bonds (distance) C4'-P energy: -143.433
bonds (distance) P-C4' energy: -152.631
flat angles C4'-P-C4' energy: -132.754
flat angles P-C4'-P energy: -84.878
tors. eta vs tors. theta energy: -40.292
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: 36
Temperature: 1.250000
Total energy: -1129.046966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.046966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.046966 (E_RNA)
where:
Base-Base interactions energy: -636.355
where: short stacking energy: -335.581
Base-Backbone interact. energy: 4.150
local terms energy: -496.842460
where:
bonds (distance) C4'-P energy: -142.840
bonds (distance) P-C4' energy: -159.352
flat angles C4'-P-C4' energy: -118.833
flat angles P-C4'-P energy: -71.192
tors. eta vs tors. theta energy: -4.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -792.589947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.589947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.589947 (E_RNA)
where:
Base-Base interactions energy: -313.613
where: short stacking energy: -224.602
Base-Backbone interact. energy: -0.425
local terms energy: -478.552590
where:
bonds (distance) C4'-P energy: -148.904
bonds (distance) P-C4' energy: -140.212
flat angles C4'-P-C4' energy: -139.055
flat angles P-C4'-P energy: -57.981
tors. eta vs tors. theta energy: 7.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -694.144863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.144863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.144863 (E_RNA)
where:
Base-Base interactions energy: -241.927
where: short stacking energy: -183.171
Base-Backbone interact. energy: 4.403
local terms energy: -456.621035
where:
bonds (distance) C4'-P energy: -160.071
bonds (distance) P-C4' energy: -143.135
flat angles C4'-P-C4' energy: -118.497
flat angles P-C4'-P energy: -54.298
tors. eta vs tors. theta energy: 19.380
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: 37
Temperature: 0.900000
Total energy: -2361.366620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2361.366620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2361.366620 (E_RNA)
where:
Base-Base interactions energy: -1505.738
where: short stacking energy: -693.851
Base-Backbone interact. energy: -2.734
local terms energy: -852.894491
where:
bonds (distance) C4'-P energy: -177.336
bonds (distance) P-C4' energy: -176.919
flat angles C4'-P-C4' energy: -184.431
flat angles P-C4'-P energy: -121.856
tors. eta vs tors. theta energy: -192.352
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: 6
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -2299.528283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2299.528283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2299.528283 (E_RNA)
where:
Base-Base interactions energy: -1472.945
where: short stacking energy: -653.938
Base-Backbone interact. energy: -10.986
local terms energy: -815.597767
where:
bonds (distance) C4'-P energy: -169.452
bonds (distance) P-C4' energy: -174.482
flat angles C4'-P-C4' energy: -174.949
flat angles P-C4'-P energy: -126.770
tors. eta vs tors. theta energy: -169.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -2095.647489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.647489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.647489 (E_RNA)
where:
Base-Base interactions energy: -1303.616
where: short stacking energy: -618.632
Base-Backbone interact. energy: 0.305
local terms energy: -792.337237
where:
bonds (distance) C4'-P energy: -174.314
bonds (distance) P-C4' energy: -167.395
flat angles C4'-P-C4' energy: -188.448
flat angles P-C4'-P energy: -109.834
tors. eta vs tors. theta energy: -152.346
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: 10
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -1945.636045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.636045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.636045 (E_RNA)
where:
Base-Base interactions energy: -1202.401
where: short stacking energy: -603.416
Base-Backbone interact. energy: -0.574
local terms energy: -742.660800
where:
bonds (distance) C4'-P energy: -158.200
bonds (distance) P-C4' energy: -157.110
flat angles C4'-P-C4' energy: -166.141
flat angles P-C4'-P energy: -109.460
tors. eta vs tors. theta energy: -151.751
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: 3
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -1913.723693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.723693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.723693 (E_RNA)
where:
Base-Base interactions energy: -1178.946
where: short stacking energy: -569.653
Base-Backbone interact. energy: -0.872
local terms energy: -733.905517
where:
bonds (distance) C4'-P energy: -153.872
bonds (distance) P-C4' energy: -166.979
flat angles C4'-P-C4' energy: -159.748
flat angles P-C4'-P energy: -111.321
tors. eta vs tors. theta energy: -141.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -1410.108191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.108191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.108191 (E_RNA)
where:
Base-Base interactions energy: -779.022
where: short stacking energy: -418.640
Base-Backbone interact. energy: 3.225
local terms energy: -634.311081
where:
bonds (distance) C4'-P energy: -150.002
bonds (distance) P-C4' energy: -172.473
flat angles C4'-P-C4' energy: -162.203
flat angles P-C4'-P energy: -91.793
tors. eta vs tors. theta energy: -57.840
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: 7
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -1189.441434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.441434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.441434 (E_RNA)
where:
Base-Base interactions energy: -605.221
where: short stacking energy: -330.168
Base-Backbone interact. energy: 1.155
local terms energy: -585.375320
where:
bonds (distance) C4'-P energy: -156.268
bonds (distance) P-C4' energy: -148.895
flat angles C4'-P-C4' energy: -150.825
flat angles P-C4'-P energy: -81.817
tors. eta vs tors. theta energy: -47.571
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: 8
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -1078.147040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.147040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.147040 (E_RNA)
where:
Base-Base interactions energy: -553.521
where: short stacking energy: -303.115
Base-Backbone interact. energy: 0.062
local terms energy: -524.687920
where:
bonds (distance) C4'-P energy: -140.342
bonds (distance) P-C4' energy: -145.110
flat angles C4'-P-C4' energy: -142.018
flat angles P-C4'-P energy: -77.348
tors. eta vs tors. theta energy: -19.869
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: 4
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -771.192704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.192704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.192704 (E_RNA)
where:
Base-Base interactions energy: -296.794
where: short stacking energy: -212.748
Base-Backbone interact. energy: 0.227
local terms energy: -474.625907
where:
bonds (distance) C4'-P energy: -119.294
bonds (distance) P-C4' energy: -155.794
flat angles C4'-P-C4' energy: -133.558
flat angles P-C4'-P energy: -82.103
tors. eta vs tors. theta energy: 16.123
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: 9
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -629.236819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.236819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.236819 (E_RNA)
where:
Base-Base interactions energy: -218.402
where: short stacking energy: -168.315
Base-Backbone interact. energy: 1.138
local terms energy: -411.972697
where:
bonds (distance) C4'-P energy: -122.550
bonds (distance) P-C4' energy: -162.569
flat angles C4'-P-C4' energy: -124.095
flat angles P-C4'-P energy: -55.385
tors. eta vs tors. theta energy: 52.626
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: 1, replica: 5
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -2408.830745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2408.830745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2408.830745 (E_RNA)
where:
Base-Base interactions energy: -1537.064
where: short stacking energy: -717.275
Base-Backbone interact. energy: -0.584
local terms energy: -871.182625
where:
bonds (distance) C4'-P energy: -169.953
bonds (distance) P-C4' energy: -175.606
flat angles C4'-P-C4' energy: -189.133
flat angles P-C4'-P energy: -136.663
tors. eta vs tors. theta energy: -199.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -2246.976479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2246.976479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2246.976479 (E_RNA)
where:
Base-Base interactions energy: -1442.332
where: short stacking energy: -624.393
Base-Backbone interact. energy: -5.372
local terms energy: -799.272374
where:
bonds (distance) C4'-P energy: -175.084
bonds (distance) P-C4' energy: -173.233
flat angles C4'-P-C4' energy: -201.881
flat angles P-C4'-P energy: -120.323
tors. eta vs tors. theta energy: -128.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -2105.834492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.834492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.834492 (E_RNA)
where:
Base-Base interactions energy: -1305.049
where: short stacking energy: -617.968
Base-Backbone interact. energy: -3.417
local terms energy: -797.368671
where:
bonds (distance) C4'-P energy: -161.672
bonds (distance) P-C4' energy: -164.727
flat angles C4'-P-C4' energy: -186.490
flat angles P-C4'-P energy: -113.791
tors. eta vs tors. theta energy: -170.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -1890.019337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.019337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.019337 (E_RNA)
where:
Base-Base interactions energy: -1179.854
where: short stacking energy: -538.645
Base-Backbone interact. energy: -1.421
local terms energy: -708.744214
where:
bonds (distance) C4'-P energy: -171.584
bonds (distance) P-C4' energy: -136.936
flat angles C4'-P-C4' energy: -169.833
flat angles P-C4'-P energy: -95.342
tors. eta vs tors. theta energy: -135.050
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: 38
Temperature: 1.100000
Total energy: -1861.765442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.765442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.765442 (E_RNA)
where:
Base-Base interactions energy: -1138.440
where: short stacking energy: -570.633
Base-Backbone interact. energy: -2.442
local terms energy: -720.883552
where:
bonds (distance) C4'-P energy: -168.393
bonds (distance) P-C4' energy: -145.615
flat angles C4'-P-C4' energy: -160.743
flat angles P-C4'-P energy: -120.059
tors. eta vs tors. theta energy: -126.073
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: 2
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -1421.364112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.364112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.364112 (E_RNA)
where:
Base-Base interactions energy: -798.131
where: short stacking energy: -425.017
Base-Backbone interact. energy: 0.772
local terms energy: -624.005371
where:
bonds (distance) C4'-P energy: -134.523
bonds (distance) P-C4' energy: -172.178
flat angles C4'-P-C4' energy: -154.356
flat angles P-C4'-P energy: -90.285
tors. eta vs tors. theta energy: -72.663
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: 7
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -1217.938117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.938117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.938117 (E_RNA)
where:
Base-Base interactions energy: -631.190
where: short stacking energy: -342.560
Base-Backbone interact. energy: 1.972
local terms energy: -588.719731
where:
bonds (distance) C4'-P energy: -152.252
bonds (distance) P-C4' energy: -160.316
flat angles C4'-P-C4' energy: -136.087
flat angles P-C4'-P energy: -102.169
tors. eta vs tors. theta energy: -37.896
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: 8
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -1124.930791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.930791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.930791 (E_RNA)
where:
Base-Base interactions energy: -613.001
where: short stacking energy: -322.621
Base-Backbone interact. energy: 2.490
local terms energy: -514.419225
where:
bonds (distance) C4'-P energy: -139.888
bonds (distance) P-C4' energy: -124.579
flat angles C4'-P-C4' energy: -129.887
flat angles P-C4'-P energy: -89.164
tors. eta vs tors. theta energy: -30.901
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: 4
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -832.706485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.706485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.706485 (E_RNA)
where:
Base-Base interactions energy: -313.679
where: short stacking energy: -212.799
Base-Backbone interact. energy: 1.909
local terms energy: -520.936341
where:
bonds (distance) C4'-P energy: -155.637
bonds (distance) P-C4' energy: -158.609
flat angles C4'-P-C4' energy: -146.467
flat angles P-C4'-P energy: -70.562
tors. eta vs tors. theta energy: 10.339
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: 38
Temperature: 1.350000
Total energy: -642.990173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.990173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.990173 (E_RNA)
where:
Base-Base interactions energy: -213.715
where: short stacking energy: -168.469
Base-Backbone interact. energy: 0.723
local terms energy: -429.997504
where:
bonds (distance) C4'-P energy: -126.835
bonds (distance) P-C4' energy: -162.616
flat angles C4'-P-C4' energy: -105.642
flat angles P-C4'-P energy: -86.517
tors. eta vs tors. theta energy: 51.613
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: 5
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -2475.177824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2475.177824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2475.177824 (E_RNA)
where:
Base-Base interactions energy: -1617.324
where: short stacking energy: -735.039
Base-Backbone interact. energy: -0.034
local terms energy: -857.820369
where:
bonds (distance) C4'-P energy: -160.711
bonds (distance) P-C4' energy: -183.213
flat angles C4'-P-C4' energy: -191.157
flat angles P-C4'-P energy: -122.262
tors. eta vs tors. theta energy: -200.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -2250.426485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2250.426485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.426485 (E_RNA)
where:
Base-Base interactions energy: -1454.239
where: short stacking energy: -658.544
Base-Backbone interact. energy: 1.601
local terms energy: -797.789025
where:
bonds (distance) C4'-P energy: -154.054
bonds (distance) P-C4' energy: -170.871
flat angles C4'-P-C4' energy: -186.486
flat angles P-C4'-P energy: -123.293
tors. eta vs tors. theta energy: -163.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -2098.786304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.786304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.786304 (E_RNA)
where:
Base-Base interactions energy: -1322.314
where: short stacking energy: -620.860
Base-Backbone interact. energy: -5.264
local terms energy: -771.208595
where:
bonds (distance) C4'-P energy: -169.574
bonds (distance) P-C4' energy: -144.958
flat angles C4'-P-C4' energy: -173.962
flat angles P-C4'-P energy: -126.514
tors. eta vs tors. theta energy: -156.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -1967.452574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.452574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.452574 (E_RNA)
where:
Base-Base interactions energy: -1206.383
where: short stacking energy: -557.552
Base-Backbone interact. energy: -2.383
local terms energy: -758.686619
where:
bonds (distance) C4'-P energy: -183.399
bonds (distance) P-C4' energy: -145.124
flat angles C4'-P-C4' energy: -189.975
flat angles P-C4'-P energy: -107.714
tors. eta vs tors. theta energy: -132.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -1895.410662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.410662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.410662 (E_RNA)
where:
Base-Base interactions energy: -1188.018
where: short stacking energy: -552.869
Base-Backbone interact. energy: -4.344
local terms energy: -703.048364
where:
bonds (distance) C4'-P energy: -159.176
bonds (distance) P-C4' energy: -159.389
flat angles C4'-P-C4' energy: -164.096
flat angles P-C4'-P energy: -93.947
tors. eta vs tors. theta energy: -126.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -1438.284097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.284097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1438.284097 (E_RNA)
where:
Base-Base interactions energy: -803.451
where: short stacking energy: -418.590
Base-Backbone interact. energy: -3.744
local terms energy: -631.089100
where:
bonds (distance) C4'-P energy: -160.710
bonds (distance) P-C4' energy: -173.984
flat angles C4'-P-C4' energy: -129.462
flat angles P-C4'-P energy: -86.328
tors. eta vs tors. theta energy: -80.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -1235.983080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.983080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.983080 (E_RNA)
where:
Base-Base interactions energy: -662.646
where: short stacking energy: -350.946
Base-Backbone interact. energy: 1.946
local terms energy: -575.283067
where:
bonds (distance) C4'-P energy: -144.759
bonds (distance) P-C4' energy: -164.909
flat angles C4'-P-C4' energy: -148.592
flat angles P-C4'-P energy: -85.991
tors. eta vs tors. theta energy: -31.032
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: 8
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -1070.023863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.023863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.023863 (E_RNA)
where:
Base-Base interactions energy: -528.111
where: short stacking energy: -304.140
Base-Backbone interact. energy: -4.076
local terms energy: -537.836754
where:
bonds (distance) C4'-P energy: -126.011
bonds (distance) P-C4' energy: -166.992
flat angles C4'-P-C4' energy: -145.800
flat angles P-C4'-P energy: -86.871
tors. eta vs tors. theta energy: -12.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -751.768956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.768956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.768956 (E_RNA)
where:
Base-Base interactions energy: -290.233
where: short stacking energy: -204.563
Base-Backbone interact. energy: 5.373
local terms energy: -466.909709
where:
bonds (distance) C4'-P energy: -147.516
bonds (distance) P-C4' energy: -139.978
flat angles C4'-P-C4' energy: -140.752
flat angles P-C4'-P energy: -67.335
tors. eta vs tors. theta energy: 28.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -661.768175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.768175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.768175 (E_RNA)
where:
Base-Base interactions energy: -213.880
where: short stacking energy: -168.897
Base-Backbone interact. energy: -1.312
local terms energy: -446.576563
where:
bonds (distance) C4'-P energy: -149.147
bonds (distance) P-C4' energy: -162.272
flat angles C4'-P-C4' energy: -95.806
flat angles P-C4'-P energy: -89.608
tors. eta vs tors. theta energy: 50.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -2472.173997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2472.173997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2472.173997 (E_RNA)
where:
Base-Base interactions energy: -1611.269
where: short stacking energy: -721.840
Base-Backbone interact. energy: -2.796
local terms energy: -858.109027
where:
bonds (distance) C4'-P energy: -181.385
bonds (distance) P-C4' energy: -183.591
flat angles C4'-P-C4' energy: -190.721
flat angles P-C4'-P energy: -110.497
tors. eta vs tors. theta energy: -191.914
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: 6
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -2299.456080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2299.456080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2299.456080 (E_RNA)
where:
Base-Base interactions energy: -1504.245
where: short stacking energy: -671.017
Base-Backbone interact. energy: -1.535
local terms energy: -793.676040
where:
bonds (distance) C4'-P energy: -169.190
bonds (distance) P-C4' energy: -157.064
flat angles C4'-P-C4' energy: -189.487
flat angles P-C4'-P energy: -113.207
tors. eta vs tors. theta energy: -164.728
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: 1
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -2131.747108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.747108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.747108 (E_RNA)
where:
Base-Base interactions energy: -1339.563
where: short stacking energy: -620.921
Base-Backbone interact. energy: -1.851
local terms energy: -790.333097
where:
bonds (distance) C4'-P energy: -176.720
bonds (distance) P-C4' energy: -168.016
flat angles C4'-P-C4' energy: -161.810
flat angles P-C4'-P energy: -129.393
tors. eta vs tors. theta energy: -154.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -1989.988768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.988768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.988768 (E_RNA)
where:
Base-Base interactions energy: -1238.755
where: short stacking energy: -573.351
Base-Backbone interact. energy: 1.710
local terms energy: -752.943991
where:
bonds (distance) C4'-P energy: -137.380
bonds (distance) P-C4' energy: -194.375
flat angles C4'-P-C4' energy: -168.079
flat angles P-C4'-P energy: -117.167
tors. eta vs tors. theta energy: -135.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -1970.559568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.559568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.559568 (E_RNA)
where:
Base-Base interactions energy: -1229.328
where: short stacking energy: -601.184
Base-Backbone interact. energy: -4.501
local terms energy: -736.731108
where:
bonds (distance) C4'-P energy: -151.700
bonds (distance) P-C4' energy: -157.112
flat angles C4'-P-C4' energy: -161.974
flat angles P-C4'-P energy: -105.615
tors. eta vs tors. theta energy: -160.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -1404.435650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.435650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.435650 (E_RNA)
where:
Base-Base interactions energy: -786.503
where: short stacking energy: -433.246
Base-Backbone interact. energy: -0.043
local terms energy: -617.889389
where:
bonds (distance) C4'-P energy: -136.794
bonds (distance) P-C4' energy: -161.599
flat angles C4'-P-C4' energy: -151.431
flat angles P-C4'-P energy: -98.942
tors. eta vs tors. theta energy: -69.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -1260.067016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.067016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.067016 (E_RNA)
where:
Base-Base interactions energy: -666.992
where: short stacking energy: -351.033
Base-Backbone interact. energy: -3.267
local terms energy: -589.807612
where:
bonds (distance) C4'-P energy: -130.668
bonds (distance) P-C4' energy: -172.210
flat angles C4'-P-C4' energy: -151.933
flat angles P-C4'-P energy: -76.065
tors. eta vs tors. theta energy: -58.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -1109.625847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.625847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.625847 (E_RNA)
where:
Base-Base interactions energy: -596.903
where: short stacking energy: -292.570
Base-Backbone interact. energy: 5.299
local terms energy: -518.021891
where:
bonds (distance) C4'-P energy: -133.762
bonds (distance) P-C4' energy: -145.269
flat angles C4'-P-C4' energy: -147.041
flat angles P-C4'-P energy: -84.106
tors. eta vs tors. theta energy: -7.844
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: 4
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -707.422646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.422646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.422646 (E_RNA)
where:
Base-Base interactions energy: -214.928
where: short stacking energy: -181.683
Base-Backbone interact. energy: -2.702
local terms energy: -489.792277
where:
bonds (distance) C4'-P energy: -153.219
bonds (distance) P-C4' energy: -140.646
flat angles C4'-P-C4' energy: -134.804
flat angles P-C4'-P energy: -70.509
tors. eta vs tors. theta energy: 9.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -671.346458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.346458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.346458 (E_RNA)
where:
Base-Base interactions energy: -252.941
where: short stacking energy: -190.924
Base-Backbone interact. energy: 8.217
local terms energy: -426.621748
where:
bonds (distance) C4'-P energy: -145.199
bonds (distance) P-C4' energy: -149.795
flat angles C4'-P-C4' energy: -104.320
flat angles P-C4'-P energy: -69.192
tors. eta vs tors. theta energy: 41.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -2507.330822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2507.330822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2507.330822 (E_RNA)
where:
Base-Base interactions energy: -1629.901
where: short stacking energy: -734.027
Base-Backbone interact. energy: -2.370
local terms energy: -875.059266
where:
bonds (distance) C4'-P energy: -173.555
bonds (distance) P-C4' energy: -197.989
flat angles C4'-P-C4' energy: -190.929
flat angles P-C4'-P energy: -123.897
tors. eta vs tors. theta energy: -188.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -2296.701309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.701309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.701309 (E_RNA)
where:
Base-Base interactions energy: -1474.269
where: short stacking energy: -668.298
Base-Backbone interact. energy: -4.300
local terms energy: -818.131541
where:
bonds (distance) C4'-P energy: -163.018
bonds (distance) P-C4' energy: -182.799
flat angles C4'-P-C4' energy: -189.185
flat angles P-C4'-P energy: -119.450
tors. eta vs tors. theta energy: -163.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -2095.625899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.625899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.625899 (E_RNA)
where:
Base-Base interactions energy: -1301.693
where: short stacking energy: -613.237
Base-Backbone interact. energy: 0.301
local terms energy: -794.233906
where:
bonds (distance) C4'-P energy: -164.523
bonds (distance) P-C4' energy: -186.380
flat angles C4'-P-C4' energy: -175.777
flat angles P-C4'-P energy: -102.423
tors. eta vs tors. theta energy: -165.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -2089.252571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.252571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2089.252571 (E_RNA)
where:
Base-Base interactions energy: -1303.806
where: short stacking energy: -604.597
Base-Backbone interact. energy: 0.920
local terms energy: -786.366934
where:
bonds (distance) C4'-P energy: -172.150
bonds (distance) P-C4' energy: -175.871
flat angles C4'-P-C4' energy: -163.607
flat angles P-C4'-P energy: -128.640
tors. eta vs tors. theta energy: -146.100
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: 3
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -1964.935420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.935420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.935420 (E_RNA)
where:
Base-Base interactions energy: -1279.029
where: short stacking energy: -577.277
Base-Backbone interact. energy: 0.278
local terms energy: -686.184082
where:
bonds (distance) C4'-P energy: -155.804
bonds (distance) P-C4' energy: -153.396
flat angles C4'-P-C4' energy: -151.644
flat angles P-C4'-P energy: -80.827
tors. eta vs tors. theta energy: -144.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -1421.242281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.242281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.242281 (E_RNA)
where:
Base-Base interactions energy: -779.724
where: short stacking energy: -432.451
Base-Backbone interact. energy: -0.725
local terms energy: -640.793860
where:
bonds (distance) C4'-P energy: -158.794
bonds (distance) P-C4' energy: -162.437
flat angles C4'-P-C4' energy: -152.345
flat angles P-C4'-P energy: -106.770
tors. eta vs tors. theta energy: -60.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -1262.141167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.141167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.141167 (E_RNA)
where:
Base-Base interactions energy: -671.556
where: short stacking energy: -341.906
Base-Backbone interact. energy: 2.736
local terms energy: -593.321625
where:
bonds (distance) C4'-P energy: -138.133
bonds (distance) P-C4' energy: -157.358
flat angles C4'-P-C4' energy: -144.438
flat angles P-C4'-P energy: -98.491
tors. eta vs tors. theta energy: -54.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -1171.454964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.454964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.454964 (E_RNA)
where:
Base-Base interactions energy: -642.633
where: short stacking energy: -326.901
Base-Backbone interact. energy: 8.306
local terms energy: -537.128219
where:
bonds (distance) C4'-P energy: -141.760
bonds (distance) P-C4' energy: -162.512
flat angles C4'-P-C4' energy: -145.905
flat angles P-C4'-P energy: -63.483
tors. eta vs tors. theta energy: -23.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -745.592987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.592987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.592987 (E_RNA)
where:
Base-Base interactions energy: -281.475
where: short stacking energy: -214.977
Base-Backbone interact. energy: 0.310
local terms energy: -464.428476
where:
bonds (distance) C4'-P energy: -122.737
bonds (distance) P-C4' energy: -139.969
flat angles C4'-P-C4' energy: -133.202
flat angles P-C4'-P energy: -84.059
tors. eta vs tors. theta energy: 15.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -694.652886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.652886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.652886 (E_RNA)
where:
Base-Base interactions energy: -239.809
where: short stacking energy: -191.369
Base-Backbone interact. energy: 2.551
local terms energy: -457.394166
where:
bonds (distance) C4'-P energy: -147.585
bonds (distance) P-C4' energy: -129.367
flat angles C4'-P-C4' energy: -116.010
flat angles P-C4'-P energy: -96.583
tors. eta vs tors. theta energy: 32.149
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: 5
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -2485.893500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2485.893500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2485.893500 (E_RNA)
where:
Base-Base interactions energy: -1626.337
where: short stacking energy: -710.574
Base-Backbone interact. energy: 1.839
local terms energy: -861.396336
where:
bonds (distance) C4'-P energy: -176.934
bonds (distance) P-C4' energy: -184.976
flat angles C4'-P-C4' energy: -189.681
flat angles P-C4'-P energy: -124.490
tors. eta vs tors. theta energy: -185.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -2259.728495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2259.728495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2259.728495 (E_RNA)
where:
Base-Base interactions energy: -1461.700
where: short stacking energy: -619.938
Base-Backbone interact. energy: 0.798
local terms energy: -798.826266
where:
bonds (distance) C4'-P energy: -178.204
bonds (distance) P-C4' energy: -186.334
flat angles C4'-P-C4' energy: -184.098
flat angles P-C4'-P energy: -119.267
tors. eta vs tors. theta energy: -130.923
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: 3, replica: 10
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -2209.620381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2209.620381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.620381 (E_RNA)
where:
Base-Base interactions energy: -1398.257
where: short stacking energy: -677.723
Base-Backbone interact. energy: -2.067
local terms energy: -809.296640
where:
bonds (distance) C4'-P energy: -154.037
bonds (distance) P-C4' energy: -186.202
flat angles C4'-P-C4' energy: -179.156
flat angles P-C4'-P energy: -120.089
tors. eta vs tors. theta energy: -169.813
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: 1
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -1990.945889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.945889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.945889 (E_RNA)
where:
Base-Base interactions energy: -1228.176
where: short stacking energy: -583.796
Base-Backbone interact. energy: 0.667
local terms energy: -763.436017
where:
bonds (distance) C4'-P energy: -165.104
bonds (distance) P-C4' energy: -172.677
flat angles C4'-P-C4' energy: -183.892
flat angles P-C4'-P energy: -99.503
tors. eta vs tors. theta energy: -142.260
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: 5, replica: 3
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -1995.853202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.853202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.853202 (E_RNA)
where:
Base-Base interactions energy: -1276.731
where: short stacking energy: -571.631
Base-Backbone interact. energy: -0.729
local terms energy: -718.617363
where:
bonds (distance) C4'-P energy: -155.141
bonds (distance) P-C4' energy: -163.257
flat angles C4'-P-C4' energy: -160.406
flat angles P-C4'-P energy: -90.616
tors. eta vs tors. theta energy: -149.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.224 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -1494.716926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1494.716926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1494.716926 (E_RNA)
where:
Base-Base interactions energy: -913.168
where: short stacking energy: -445.185
Base-Backbone interact. energy: -2.811
local terms energy: -578.737707
where:
bonds (distance) C4'-P energy: -122.537
bonds (distance) P-C4' energy: -138.075
flat angles C4'-P-C4' energy: -148.426
flat angles P-C4'-P energy: -99.542
tors. eta vs tors. theta energy: -70.157
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: 8
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -1238.055109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.055109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.055109 (E_RNA)
where:
Base-Base interactions energy: -682.051
where: short stacking energy: -360.033
Base-Backbone interact. energy: -0.040
local terms energy: -555.963816
where:
bonds (distance) C4'-P energy: -145.766
bonds (distance) P-C4' energy: -187.435
flat angles C4'-P-C4' energy: -132.657
flat angles P-C4'-P energy: -64.434
tors. eta vs tors. theta energy: -25.672
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: 7
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -1256.691157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.691157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.691157 (E_RNA)
where:
Base-Base interactions energy: -680.753
where: short stacking energy: -342.164
Base-Backbone interact. energy: 0.012
local terms energy: -575.949495
where:
bonds (distance) C4'-P energy: -135.124
bonds (distance) P-C4' energy: -164.902
flat angles C4'-P-C4' energy: -145.859
flat angles P-C4'-P energy: -85.240
tors. eta vs tors. theta energy: -44.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -709.817639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.817639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.817639 (E_RNA)
where:
Base-Base interactions energy: -239.126
where: short stacking energy: -194.702
Base-Backbone interact. energy: 0.133
local terms energy: -470.824686
where:
bonds (distance) C4'-P energy: -142.082
bonds (distance) P-C4' energy: -156.870
flat angles C4'-P-C4' energy: -111.191
flat angles P-C4'-P energy: -77.203
tors. eta vs tors. theta energy: 16.522
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: 42
Temperature: 1.350000
Total energy: -710.587567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.587567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.587567 (E_RNA)
where:
Base-Base interactions energy: -262.971
where: short stacking energy: -183.844
Base-Backbone interact. energy: 2.621
local terms energy: -450.237589
where:
bonds (distance) C4'-P energy: -132.447
bonds (distance) P-C4' energy: -128.481
flat angles C4'-P-C4' energy: -115.101
flat angles P-C4'-P energy: -98.534
tors. eta vs tors. theta energy: 24.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -2455.901391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2455.901391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2455.901391 (E_RNA)
where:
Base-Base interactions energy: -1594.112
where: short stacking energy: -726.448
Base-Backbone interact. energy: -3.541
local terms energy: -858.247880
where:
bonds (distance) C4'-P energy: -158.756
bonds (distance) P-C4' energy: -181.338
flat angles C4'-P-C4' energy: -191.114
flat angles P-C4'-P energy: -123.835
tors. eta vs tors. theta energy: -203.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -2332.251299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2332.251299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2332.251299 (E_RNA)
where:
Base-Base interactions energy: -1526.830
where: short stacking energy: -649.829
Base-Backbone interact. energy: -4.107
local terms energy: -801.314324
where:
bonds (distance) C4'-P energy: -185.690
bonds (distance) P-C4' energy: -169.768
flat angles C4'-P-C4' energy: -179.049
flat angles P-C4'-P energy: -121.518
tors. eta vs tors. theta energy: -145.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -2231.090394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2231.090394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2231.090394 (E_RNA)
where:
Base-Base interactions energy: -1407.037
where: short stacking energy: -667.941
Base-Backbone interact. energy: -2.521
local terms energy: -821.531923
where:
bonds (distance) C4'-P energy: -162.962
bonds (distance) P-C4' energy: -175.945
flat angles C4'-P-C4' energy: -184.746
flat angles P-C4'-P energy: -121.126
tors. eta vs tors. theta energy: -176.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -2068.716402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.716402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2068.716402 (E_RNA)
where:
Base-Base interactions energy: -1284.657
where: short stacking energy: -604.885
Base-Backbone interact. energy: -2.975
local terms energy: -781.085105
where:
bonds (distance) C4'-P energy: -154.263
bonds (distance) P-C4' energy: -162.365
flat angles C4'-P-C4' energy: -187.454
flat angles P-C4'-P energy: -116.176
tors. eta vs tors. theta energy: -160.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -1877.057239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.057239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.057239 (E_RNA)
where:
Base-Base interactions energy: -1197.582
where: short stacking energy: -537.859
Base-Backbone interact. energy: 5.627
local terms energy: -685.102366
where:
bonds (distance) C4'-P energy: -148.052
bonds (distance) P-C4' energy: -162.726
flat angles C4'-P-C4' energy: -165.722
flat angles P-C4'-P energy: -99.077
tors. eta vs tors. theta energy: -109.525
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: 6, replica: 2
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -1475.692021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.692021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.692021 (E_RNA)
where:
Base-Base interactions energy: -834.673
where: short stacking energy: -416.389
Base-Backbone interact. energy: 5.016
local terms energy: -646.035344
where:
bonds (distance) C4'-P energy: -129.822
bonds (distance) P-C4' energy: -162.021
flat angles C4'-P-C4' energy: -150.790
flat angles P-C4'-P energy: -102.824
tors. eta vs tors. theta energy: -100.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -1269.297451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.297451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.297451 (E_RNA)
where:
Base-Base interactions energy: -698.303
where: short stacking energy: -358.925
Base-Backbone interact. energy: 2.341
local terms energy: -573.334715
where:
bonds (distance) C4'-P energy: -133.543
bonds (distance) P-C4' energy: -149.331
flat angles C4'-P-C4' energy: -161.356
flat angles P-C4'-P energy: -81.811
tors. eta vs tors. theta energy: -47.294
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: 8, replica: 7
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -1171.936344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.936344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.936344 (E_RNA)
where:
Base-Base interactions energy: -637.925
where: short stacking energy: -343.615
Base-Backbone interact. energy: 2.354
local terms energy: -536.364814
where:
bonds (distance) C4'-P energy: -132.446
bonds (distance) P-C4' energy: -145.682
flat angles C4'-P-C4' energy: -145.627
flat angles P-C4'-P energy: -77.961
tors. eta vs tors. theta energy: -34.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -740.458051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.458051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.458051 (E_RNA)
where:
Base-Base interactions energy: -273.151
where: short stacking energy: -198.561
Base-Backbone interact. energy: -2.459
local terms energy: -464.848671
where:
bonds (distance) C4'-P energy: -147.135
bonds (distance) P-C4' energy: -134.907
flat angles C4'-P-C4' energy: -132.039
flat angles P-C4'-P energy: -74.448
tors. eta vs tors. theta energy: 23.680
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: 4
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -650.288274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.288274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.288274 (E_RNA)
where:
Base-Base interactions energy: -211.626
where: short stacking energy: -170.847
Base-Backbone interact. energy: 3.329
local terms energy: -441.991420
where:
bonds (distance) C4'-P energy: -136.653
bonds (distance) P-C4' energy: -151.988
flat angles C4'-P-C4' energy: -119.273
flat angles P-C4'-P energy: -80.681
tors. eta vs tors. theta energy: 46.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -2450.404874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2450.404874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2450.404874 (E_RNA)
where:
Base-Base interactions energy: -1565.332
where: short stacking energy: -716.905
Base-Backbone interact. energy: -3.075
local terms energy: -881.997944
where:
bonds (distance) C4'-P energy: -184.099
bonds (distance) P-C4' energy: -182.770
flat angles C4'-P-C4' energy: -206.781
flat angles P-C4'-P energy: -113.147
tors. eta vs tors. theta energy: -195.201
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: 6
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -2348.744747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2348.744747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2348.744747 (E_RNA)
where:
Base-Base interactions energy: -1514.968
where: short stacking energy: -675.825
Base-Backbone interact. energy: -3.501
local terms energy: -830.275832
where:
bonds (distance) C4'-P energy: -173.906
bonds (distance) P-C4' energy: -181.304
flat angles C4'-P-C4' energy: -180.789
flat angles P-C4'-P energy: -130.009
tors. eta vs tors. theta energy: -164.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -2264.911081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2264.911081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2264.911081 (E_RNA)
where:
Base-Base interactions energy: -1458.325
where: short stacking energy: -680.973
Base-Backbone interact. energy: -0.261
local terms energy: -806.324817
where:
bonds (distance) C4'-P energy: -153.994
bonds (distance) P-C4' energy: -182.839
flat angles C4'-P-C4' energy: -184.704
flat angles P-C4'-P energy: -115.189
tors. eta vs tors. theta energy: -169.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -2115.013538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2115.013538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.013538 (E_RNA)
where:
Base-Base interactions energy: -1362.020
where: short stacking energy: -622.736
Base-Backbone interact. energy: -2.811
local terms energy: -750.182448
where:
bonds (distance) C4'-P energy: -173.551
bonds (distance) P-C4' energy: -161.012
flat angles C4'-P-C4' energy: -168.442
flat angles P-C4'-P energy: -96.772
tors. eta vs tors. theta energy: -150.406
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: 5, replica: 1
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -1825.020616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.020616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.020616 (E_RNA)
where:
Base-Base interactions energy: -1110.133
where: short stacking energy: -474.217
Base-Backbone interact. energy: 3.596
local terms energy: -718.483366
where:
bonds (distance) C4'-P energy: -169.759
bonds (distance) P-C4' energy: -170.110
flat angles C4'-P-C4' energy: -154.216
flat angles P-C4'-P energy: -113.561
tors. eta vs tors. theta energy: -110.838
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: 6, replica: 2
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -1446.112868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.112868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1446.112868 (E_RNA)
where:
Base-Base interactions energy: -845.155
where: short stacking energy: -431.249
Base-Backbone interact. energy: -3.046
local terms energy: -597.911725
where:
bonds (distance) C4'-P energy: -134.769
bonds (distance) P-C4' energy: -175.087
flat angles C4'-P-C4' energy: -156.316
flat angles P-C4'-P energy: -65.460
tors. eta vs tors. theta energy: -66.279
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: 7
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -1278.673725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.673725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.673725 (E_RNA)
where:
Base-Base interactions energy: -713.546
where: short stacking energy: -385.564
Base-Backbone interact. energy: -1.605
local terms energy: -563.522331
where:
bonds (distance) C4'-P energy: -162.784
bonds (distance) P-C4' energy: -160.877
flat angles C4'-P-C4' energy: -123.842
flat angles P-C4'-P energy: -75.232
tors. eta vs tors. theta energy: -40.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -1144.807907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.807907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.807907 (E_RNA)
where:
Base-Base interactions energy: -599.751
where: short stacking energy: -318.892
Base-Backbone interact. energy: 8.658
local terms energy: -553.714845
where:
bonds (distance) C4'-P energy: -151.582
bonds (distance) P-C4' energy: -137.517
flat angles C4'-P-C4' energy: -145.134
flat angles P-C4'-P energy: -93.291
tors. eta vs tors. theta energy: -26.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -752.226596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.226596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.226596 (E_RNA)
where:
Base-Base interactions energy: -282.037
where: short stacking energy: -211.706
Base-Backbone interact. energy: 2.248
local terms energy: -472.437671
where:
bonds (distance) C4'-P energy: -167.071
bonds (distance) P-C4' energy: -134.882
flat angles C4'-P-C4' energy: -119.387
flat angles P-C4'-P energy: -74.199
tors. eta vs tors. theta energy: 23.101
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: 10, replica: 4
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -668.783057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.783057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.783057 (E_RNA)
where:
Base-Base interactions energy: -240.909
where: short stacking energy: -170.132
Base-Backbone interact. energy: -5.827
local terms energy: -422.046824
where:
bonds (distance) C4'-P energy: -157.609
bonds (distance) P-C4' energy: -134.497
flat angles C4'-P-C4' energy: -127.476
flat angles P-C4'-P energy: -40.552
tors. eta vs tors. theta energy: 38.087
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: 5
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -2473.117192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2473.117192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2473.117192 (E_RNA)
where:
Base-Base interactions energy: -1624.569
where: short stacking energy: -707.355
Base-Backbone interact. energy: -3.933
local terms energy: -844.615190
where:
bonds (distance) C4'-P energy: -168.384
bonds (distance) P-C4' energy: -185.042
flat angles C4'-P-C4' energy: -179.867
flat angles P-C4'-P energy: -131.069
tors. eta vs tors. theta energy: -180.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -2417.603105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2417.603105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2417.603105 (E_RNA)
where:
Base-Base interactions energy: -1590.384
where: short stacking energy: -739.242
Base-Backbone interact. energy: -0.814
local terms energy: -826.404674
where:
bonds (distance) C4'-P energy: -167.019
bonds (distance) P-C4' energy: -162.764
flat angles C4'-P-C4' energy: -168.762
flat angles P-C4'-P energy: -124.340
tors. eta vs tors. theta energy: -203.520
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: 3, replica: 6
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -2187.939829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.939829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.939829 (E_RNA)
where:
Base-Base interactions energy: -1411.913
where: short stacking energy: -614.105
Base-Backbone interact. energy: -6.980
local terms energy: -769.098326
where:
bonds (distance) C4'-P energy: -172.824
bonds (distance) P-C4' energy: -174.629
flat angles C4'-P-C4' energy: -172.761
flat angles P-C4'-P energy: -111.772
tors. eta vs tors. theta energy: -137.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.051 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -2183.405546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.405546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.405546 (E_RNA)
where:
Base-Base interactions energy: -1423.767
where: short stacking energy: -649.710
Base-Backbone interact. energy: -1.868
local terms energy: -757.770637
where:
bonds (distance) C4'-P energy: -159.283
bonds (distance) P-C4' energy: -155.131
flat angles C4'-P-C4' energy: -173.826
flat angles P-C4'-P energy: -109.384
tors. eta vs tors. theta energy: -160.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -1873.110297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.110297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.110297 (E_RNA)
where:
Base-Base interactions energy: -1140.696
where: short stacking energy: -572.482
Base-Backbone interact. energy: -0.988
local terms energy: -731.426419
where:
bonds (distance) C4'-P energy: -170.678
bonds (distance) P-C4' energy: -168.500
flat angles C4'-P-C4' energy: -171.064
flat angles P-C4'-P energy: -84.753
tors. eta vs tors. theta energy: -136.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -1463.215558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.215558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.215558 (E_RNA)
where:
Base-Base interactions energy: -828.545
where: short stacking energy: -425.262
Base-Backbone interact. energy: -0.842
local terms energy: -633.828816
where:
bonds (distance) C4'-P energy: -147.721
bonds (distance) P-C4' energy: -164.028
flat angles C4'-P-C4' energy: -157.935
flat angles P-C4'-P energy: -92.725
tors. eta vs tors. theta energy: -71.419
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: 7, replica: 7
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -1289.622299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.622299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.622299 (E_RNA)
where:
Base-Base interactions energy: -702.132
where: short stacking energy: -394.788
Base-Backbone interact. energy: -3.242
local terms energy: -584.248554
where:
bonds (distance) C4'-P energy: -150.115
bonds (distance) P-C4' energy: -166.263
flat angles C4'-P-C4' energy: -133.541
flat angles P-C4'-P energy: -82.647
tors. eta vs tors. theta energy: -51.682
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: 8, replica: 8
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -1192.024724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.024724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.024724 (E_RNA)
where:
Base-Base interactions energy: -658.774
where: short stacking energy: -320.259
Base-Backbone interact. energy: -2.578
local terms energy: -530.672613
where:
bonds (distance) C4'-P energy: -158.371
bonds (distance) P-C4' energy: -162.515
flat angles C4'-P-C4' energy: -128.654
flat angles P-C4'-P energy: -75.889
tors. eta vs tors. theta energy: -5.244
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: 9, replica: 9
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -756.236037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.236037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.236037 (E_RNA)
where:
Base-Base interactions energy: -307.601
where: short stacking energy: -208.891
Base-Backbone interact. energy: -0.043
local terms energy: -448.592158
where:
bonds (distance) C4'-P energy: -122.241
bonds (distance) P-C4' energy: -152.907
flat angles C4'-P-C4' energy: -120.297
flat angles P-C4'-P energy: -70.254
tors. eta vs tors. theta energy: 17.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -627.829357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.829357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.829357 (E_RNA)
where:
Base-Base interactions energy: -245.649
where: short stacking energy: -188.696
Base-Backbone interact. energy: 0.378
local terms energy: -382.558310
where:
bonds (distance) C4'-P energy: -125.120
bonds (distance) P-C4' energy: -164.155
flat angles C4'-P-C4' energy: -105.715
flat angles P-C4'-P energy: -44.067
tors. eta vs tors. theta energy: 56.499
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: 5
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -2523.810785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2523.810785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2523.810785 (E_RNA)
where:
Base-Base interactions energy: -1629.326
where: short stacking energy: -745.142
Base-Backbone interact. energy: -1.298
local terms energy: -893.186704
where:
bonds (distance) C4'-P energy: -174.123
bonds (distance) P-C4' energy: -188.432
flat angles C4'-P-C4' energy: -208.092
flat angles P-C4'-P energy: -120.504
tors. eta vs tors. theta energy: -202.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -2475.332250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2475.332250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2475.332250 (E_RNA)
where:
Base-Base interactions energy: -1637.616
where: short stacking energy: -760.619
Base-Backbone interact. energy: -5.201
local terms energy: -832.515555
where:
bonds (distance) C4'-P energy: -155.015
bonds (distance) P-C4' energy: -168.423
flat angles C4'-P-C4' energy: -196.026
flat angles P-C4'-P energy: -120.014
tors. eta vs tors. theta energy: -193.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -2338.153484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.153484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2338.153484 (E_RNA)
where:
Base-Base interactions energy: -1513.745
where: short stacking energy: -664.080
Base-Backbone interact. energy: -3.674
local terms energy: -820.734601
where:
bonds (distance) C4'-P energy: -177.905
bonds (distance) P-C4' energy: -174.239
flat angles C4'-P-C4' energy: -177.292
flat angles P-C4'-P energy: -120.073
tors. eta vs tors. theta energy: -171.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -2019.267346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.267346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.267346 (E_RNA)
where:
Base-Base interactions energy: -1272.493
where: short stacking energy: -578.018
Base-Backbone interact. energy: -1.885
local terms energy: -744.888884
where:
bonds (distance) C4'-P energy: -155.253
bonds (distance) P-C4' energy: -171.859
flat angles C4'-P-C4' energy: -176.969
flat angles P-C4'-P energy: -108.609
tors. eta vs tors. theta energy: -132.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -1868.540729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.540729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.540729 (E_RNA)
where:
Base-Base interactions energy: -1180.712
where: short stacking energy: -548.197
Base-Backbone interact. energy: -3.474
local terms energy: -684.354857
where:
bonds (distance) C4'-P energy: -143.819
bonds (distance) P-C4' energy: -168.989
flat angles C4'-P-C4' energy: -149.835
flat angles P-C4'-P energy: -92.021
tors. eta vs tors. theta energy: -129.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -1390.166824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.166824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.166824 (E_RNA)
where:
Base-Base interactions energy: -770.358
where: short stacking energy: -394.248
Base-Backbone interact. energy: -2.978
local terms energy: -616.830568
where:
bonds (distance) C4'-P energy: -153.216
bonds (distance) P-C4' energy: -166.256
flat angles C4'-P-C4' energy: -150.919
flat angles P-C4'-P energy: -84.341
tors. eta vs tors. theta energy: -62.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -1304.813025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.813025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.813025 (E_RNA)
where:
Base-Base interactions energy: -709.136
where: short stacking energy: -355.597
Base-Backbone interact. energy: 1.008
local terms energy: -596.684784
where:
bonds (distance) C4'-P energy: -154.113
bonds (distance) P-C4' energy: -168.860
flat angles C4'-P-C4' energy: -150.012
flat angles P-C4'-P energy: -87.924
tors. eta vs tors. theta energy: -35.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -1211.892394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.892394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.892394 (E_RNA)
where:
Base-Base interactions energy: -658.901
where: short stacking energy: -341.722
Base-Backbone interact. energy: -2.290
local terms energy: -550.702127
where:
bonds (distance) C4'-P energy: -144.672
bonds (distance) P-C4' energy: -159.329
flat angles C4'-P-C4' energy: -117.558
flat angles P-C4'-P energy: -90.670
tors. eta vs tors. theta energy: -38.474
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: 9, replica: 9
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -824.418763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.418763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.418763 (E_RNA)
where:
Base-Base interactions energy: -344.509
where: short stacking energy: -232.517
Base-Backbone interact. energy: 2.152
local terms energy: -482.062641
where:
bonds (distance) C4'-P energy: -127.793
bonds (distance) P-C4' energy: -129.110
flat angles C4'-P-C4' energy: -144.777
flat angles P-C4'-P energy: -84.042
tors. eta vs tors. theta energy: 3.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -660.974843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.974843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.974843 (E_RNA)
where:
Base-Base interactions energy: -258.981
where: short stacking energy: -189.758
Base-Backbone interact. energy: -0.181
local terms energy: -401.812783
where:
bonds (distance) C4'-P energy: -135.856
bonds (distance) P-C4' energy: -124.755
flat angles C4'-P-C4' energy: -97.475
flat angles P-C4'-P energy: -87.429
tors. eta vs tors. theta energy: 43.701
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: 5
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -2519.812419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2519.812419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2519.812419 (E_RNA)
where:
Base-Base interactions energy: -1637.593
where: short stacking energy: -731.680
Base-Backbone interact. energy: 2.193
local terms energy: -884.412349
where:
bonds (distance) C4'-P energy: -177.531
bonds (distance) P-C4' energy: -194.520
flat angles C4'-P-C4' energy: -186.250
flat angles P-C4'-P energy: -123.289
tors. eta vs tors. theta energy: -202.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -2435.236190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.236190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2435.236190 (E_RNA)
where:
Base-Base interactions energy: -1564.550
where: short stacking energy: -730.086
Base-Backbone interact. energy: -1.276
local terms energy: -869.409743
where:
bonds (distance) C4'-P energy: -168.923
bonds (distance) P-C4' energy: -182.213
flat angles C4'-P-C4' energy: -187.632
flat angles P-C4'-P energy: -124.194
tors. eta vs tors. theta energy: -206.448
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: 47
Temperature: 1.000000
Total energy: -2296.205988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.205988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.205988 (E_RNA)
where:
Base-Base interactions energy: -1472.022
where: short stacking energy: -654.266
Base-Backbone interact. energy: -2.318
local terms energy: -821.865528
where:
bonds (distance) C4'-P energy: -167.065
bonds (distance) P-C4' energy: -169.072
flat angles C4'-P-C4' energy: -187.348
flat angles P-C4'-P energy: -130.134
tors. eta vs tors. theta energy: -168.247
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: 4, replica: 6
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -1981.241185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.241185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.241185 (E_RNA)
where:
Base-Base interactions energy: -1261.796
where: short stacking energy: -567.616
Base-Backbone interact. energy: -5.374
local terms energy: -715.230132
where:
bonds (distance) C4'-P energy: -170.565
bonds (distance) P-C4' energy: -145.133
flat angles C4'-P-C4' energy: -176.938
flat angles P-C4'-P energy: -105.845
tors. eta vs tors. theta energy: -116.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.159 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -1812.716218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.716218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.716218 (E_RNA)
where:
Base-Base interactions energy: -1115.348
where: short stacking energy: -525.139
Base-Backbone interact. energy: 0.038
local terms energy: -697.405963
where:
bonds (distance) C4'-P energy: -163.133
bonds (distance) P-C4' energy: -157.424
flat angles C4'-P-C4' energy: -165.185
flat angles P-C4'-P energy: -71.007
tors. eta vs tors. theta energy: -140.657
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: 2
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -1530.409511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1530.409511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1530.409511 (E_RNA)
where:
Base-Base interactions energy: -888.696
where: short stacking energy: -424.335
Base-Backbone interact. energy: 1.964
local terms energy: -643.677142
where:
bonds (distance) C4'-P energy: -142.571
bonds (distance) P-C4' energy: -158.505
flat angles C4'-P-C4' energy: -154.033
flat angles P-C4'-P energy: -108.012
tors. eta vs tors. theta energy: -80.557
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: 7
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -1235.185373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.185373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.185373 (E_RNA)
where:
Base-Base interactions energy: -678.411
where: short stacking energy: -363.121
Base-Backbone interact. energy: 8.094
local terms energy: -564.868354
where:
bonds (distance) C4'-P energy: -131.486
bonds (distance) P-C4' energy: -151.934
flat angles C4'-P-C4' energy: -141.392
flat angles P-C4'-P energy: -83.117
tors. eta vs tors. theta energy: -56.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -1180.336941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.336941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.336941 (E_RNA)
where:
Base-Base interactions energy: -636.837
where: short stacking energy: -326.469
Base-Backbone interact. energy: -2.072
local terms energy: -541.427494
where:
bonds (distance) C4'-P energy: -137.491
bonds (distance) P-C4' energy: -159.662
flat angles C4'-P-C4' energy: -134.923
flat angles P-C4'-P energy: -96.263
tors. eta vs tors. theta energy: -13.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -777.103589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.103589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.103589 (E_RNA)
where:
Base-Base interactions energy: -309.049
where: short stacking energy: -206.235
Base-Backbone interact. energy: 3.255
local terms energy: -471.308976
where:
bonds (distance) C4'-P energy: -146.097
bonds (distance) P-C4' energy: -154.846
flat angles C4'-P-C4' energy: -122.727
flat angles P-C4'-P energy: -83.188
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: 10, replica: 4
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -667.123715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.123715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.123715 (E_RNA)
where:
Base-Base interactions energy: -216.154
where: short stacking energy: -181.201
Base-Backbone interact. energy: 5.935
local terms energy: -456.903883
where:
bonds (distance) C4'-P energy: -147.846
bonds (distance) P-C4' energy: -150.514
flat angles C4'-P-C4' energy: -133.509
flat angles P-C4'-P energy: -61.939
tors. eta vs tors. theta energy: 36.904
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: 5
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -2497.964373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2497.964373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2497.964373 (E_RNA)
where:
Base-Base interactions energy: -1616.131
where: short stacking energy: -751.222
Base-Backbone interact. energy: -3.183
local terms energy: -878.649866
where:
bonds (distance) C4'-P energy: -180.690
bonds (distance) P-C4' energy: -193.558
flat angles C4'-P-C4' energy: -207.270
flat angles P-C4'-P energy: -102.686
tors. eta vs tors. theta energy: -194.445
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: 10
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -2497.231309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2497.231309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2497.231309 (E_RNA)
where:
Base-Base interactions energy: -1626.848
where: short stacking energy: -721.286
Base-Backbone interact. energy: -3.717
local terms energy: -866.665847
where:
bonds (distance) C4'-P energy: -167.726
bonds (distance) P-C4' energy: -174.717
flat angles C4'-P-C4' energy: -200.799
flat angles P-C4'-P energy: -122.305
tors. eta vs tors. theta energy: -201.119
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: 3, replica: 3
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -2393.861804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2393.861804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2393.861804 (E_RNA)
where:
Base-Base interactions energy: -1589.777
where: short stacking energy: -669.797
Base-Backbone interact. energy: -1.790
local terms energy: -802.295115
where:
bonds (distance) C4'-P energy: -156.267
bonds (distance) P-C4' energy: -180.358
flat angles C4'-P-C4' energy: -191.052
flat angles P-C4'-P energy: -110.432
tors. eta vs tors. theta energy: -164.187
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: 4, replica: 6
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -2015.619755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2015.619755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.619755 (E_RNA)
where:
Base-Base interactions energy: -1270.550
where: short stacking energy: -585.560
Base-Backbone interact. energy: -1.852
local terms energy: -743.218008
where:
bonds (distance) C4'-P energy: -153.141
bonds (distance) P-C4' energy: -154.525
flat angles C4'-P-C4' energy: -173.584
flat angles P-C4'-P energy: -131.145
tors. eta vs tors. theta energy: -130.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -1828.530014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.530014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.530014 (E_RNA)
where:
Base-Base interactions energy: -1119.259
where: short stacking energy: -508.391
Base-Backbone interact. energy: -1.834
local terms energy: -707.436940
where:
bonds (distance) C4'-P energy: -155.000
bonds (distance) P-C4' energy: -177.493
flat angles C4'-P-C4' energy: -167.368
flat angles P-C4'-P energy: -102.150
tors. eta vs tors. theta energy: -105.426
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: 2
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -1582.479195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.479195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.479195 (E_RNA)
where:
Base-Base interactions energy: -941.070
where: short stacking energy: -465.794
Base-Backbone interact. energy: 0.370
local terms energy: -641.779035
where:
bonds (distance) C4'-P energy: -145.386
bonds (distance) P-C4' energy: -160.121
flat angles C4'-P-C4' energy: -138.252
flat angles P-C4'-P energy: -110.007
tors. eta vs tors. theta energy: -88.013
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: 7, replica: 7
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -1308.814377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.814377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.814377 (E_RNA)
where:
Base-Base interactions energy: -693.564
where: short stacking energy: -377.157
Base-Backbone interact. energy: -1.483
local terms energy: -613.766915
where:
bonds (distance) C4'-P energy: -155.354
bonds (distance) P-C4' energy: -153.179
flat angles C4'-P-C4' energy: -158.727
flat angles P-C4'-P energy: -106.662
tors. eta vs tors. theta energy: -39.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -1139.986994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.986994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.986994 (E_RNA)
where:
Base-Base interactions energy: -593.210
where: short stacking energy: -349.337
Base-Backbone interact. energy: 1.297
local terms energy: -548.074074
where:
bonds (distance) C4'-P energy: -131.367
bonds (distance) P-C4' energy: -152.461
flat angles C4'-P-C4' energy: -137.554
flat angles P-C4'-P energy: -84.912
tors. eta vs tors. theta energy: -41.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -804.869473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.869473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.869473 (E_RNA)
where:
Base-Base interactions energy: -335.196
where: short stacking energy: -224.194
Base-Backbone interact. energy: 2.396
local terms energy: -472.069420
where:
bonds (distance) C4'-P energy: -161.946
bonds (distance) P-C4' energy: -142.591
flat angles C4'-P-C4' energy: -132.041
flat angles P-C4'-P energy: -61.505
tors. eta vs tors. theta energy: 26.013
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: 4
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -634.393598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.393598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.393598 (E_RNA)
where:
Base-Base interactions energy: -207.809
where: short stacking energy: -165.643
Base-Backbone interact. energy: 1.783
local terms energy: -428.367957
where:
bonds (distance) C4'-P energy: -137.193
bonds (distance) P-C4' energy: -141.275
flat angles C4'-P-C4' energy: -114.609
flat angles P-C4'-P energy: -58.160
tors. eta vs tors. theta energy: 22.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -2449.421401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2449.421401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2449.421401 (E_RNA)
where:
Base-Base interactions energy: -1602.645
where: short stacking energy: -741.498
Base-Backbone interact. energy: 0.475
local terms energy: -847.251326
where:
bonds (distance) C4'-P energy: -176.595
bonds (distance) P-C4' energy: -169.525
flat angles C4'-P-C4' energy: -178.212
flat angles P-C4'-P energy: -129.304
tors. eta vs tors. theta energy: -193.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -2475.541309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2475.541309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2475.541309 (E_RNA)
where:
Base-Base interactions energy: -1622.362
where: short stacking energy: -729.553
Base-Backbone interact. energy: -4.813
local terms energy: -848.366055
where:
bonds (distance) C4'-P energy: -168.528
bonds (distance) P-C4' energy: -183.834
flat angles C4'-P-C4' energy: -192.730
flat angles P-C4'-P energy: -111.530
tors. eta vs tors. theta energy: -191.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -2385.371158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2385.371158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2385.371158 (E_RNA)
where:
Base-Base interactions energy: -1566.404
where: short stacking energy: -693.722
Base-Backbone interact. energy: -1.583
local terms energy: -817.384100
where:
bonds (distance) C4'-P energy: -150.976
bonds (distance) P-C4' energy: -173.152
flat angles C4'-P-C4' energy: -187.035
flat angles P-C4'-P energy: -122.562
tors. eta vs tors. theta energy: -183.658
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: 4, replica: 6
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -2069.326704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.326704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2069.326704 (E_RNA)
where:
Base-Base interactions energy: -1307.908
where: short stacking energy: -610.700
Base-Backbone interact. energy: -5.774
local terms energy: -755.644837
where:
bonds (distance) C4'-P energy: -164.080
bonds (distance) P-C4' energy: -181.814
flat angles C4'-P-C4' energy: -167.489
flat angles P-C4'-P energy: -101.675
tors. eta vs tors. theta energy: -140.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -1792.824529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.824529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.824529 (E_RNA)
where:
Base-Base interactions energy: -1104.285
where: short stacking energy: -514.702
Base-Backbone interact. energy: -2.531
local terms energy: -686.008329
where:
bonds (distance) C4'-P energy: -152.713
bonds (distance) P-C4' energy: -165.986
flat angles C4'-P-C4' energy: -165.366
flat angles P-C4'-P energy: -96.395
tors. eta vs tors. theta energy: -105.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -1503.628938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.628938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.628938 (E_RNA)
where:
Base-Base interactions energy: -894.077
where: short stacking energy: -432.493
Base-Backbone interact. energy: -4.871
local terms energy: -604.680580
where:
bonds (distance) C4'-P energy: -128.803
bonds (distance) P-C4' energy: -171.207
flat angles C4'-P-C4' energy: -160.683
flat angles P-C4'-P energy: -90.221
tors. eta vs tors. theta energy: -53.766
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: 7
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -1376.428453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.428453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.428453 (E_RNA)
where:
Base-Base interactions energy: -742.290
where: short stacking energy: -407.206
Base-Backbone interact. energy: -3.697
local terms energy: -630.440927
where:
bonds (distance) C4'-P energy: -141.302
bonds (distance) P-C4' energy: -165.595
flat angles C4'-P-C4' energy: -164.592
flat angles P-C4'-P energy: -84.823
tors. eta vs tors. theta energy: -74.129
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: 8
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -1088.938992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.938992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.938992 (E_RNA)
where:
Base-Base interactions energy: -555.779
where: short stacking energy: -319.321
Base-Backbone interact. energy: 0.111
local terms energy: -533.270400
where:
bonds (distance) C4'-P energy: -159.209
bonds (distance) P-C4' energy: -141.996
flat angles C4'-P-C4' energy: -124.430
flat angles P-C4'-P energy: -81.055
tors. eta vs tors. theta energy: -26.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -769.519569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.519569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.519569 (E_RNA)
where:
Base-Base interactions energy: -293.910
where: short stacking energy: -205.012
Base-Backbone interact. energy: -0.682
local terms energy: -474.927376
where:
bonds (distance) C4'-P energy: -145.509
bonds (distance) P-C4' energy: -151.976
flat angles C4'-P-C4' energy: -123.653
flat angles P-C4'-P energy: -71.513
tors. eta vs tors. theta energy: 17.724
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: 4
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -678.785955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.785955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.785955 (E_RNA)
where:
Base-Base interactions energy: -274.779
where: short stacking energy: -219.280
Base-Backbone interact. energy: 3.575
local terms energy: -407.582338
where:
bonds (distance) C4'-P energy: -130.157
bonds (distance) P-C4' energy: -125.969
flat angles C4'-P-C4' energy: -109.164
flat angles P-C4'-P energy: -69.478
tors. eta vs tors. theta energy: 27.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -2478.027996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2478.027996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2478.027996 (E_RNA)
where:
Base-Base interactions energy: -1578.068
where: short stacking energy: -705.053
Base-Backbone interact. energy: -4.369
local terms energy: -895.591197
where:
bonds (distance) C4'-P energy: -178.793
bonds (distance) P-C4' energy: -189.089
flat angles C4'-P-C4' energy: -200.750
flat angles P-C4'-P energy: -119.026
tors. eta vs tors. theta energy: -207.933
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: 10
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -2415.186964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2415.186964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2415.186964 (E_RNA)
where:
Base-Base interactions energy: -1549.522
where: short stacking energy: -696.395
Base-Backbone interact. energy: -1.397
local terms energy: -864.268627
where:
bonds (distance) C4'-P energy: -175.910
bonds (distance) P-C4' energy: -184.658
flat angles C4'-P-C4' energy: -201.524
flat angles P-C4'-P energy: -118.724
tors. eta vs tors. theta energy: -183.452
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: 3, replica: 3
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -2417.198577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2417.198577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2417.198577 (E_RNA)
where:
Base-Base interactions energy: -1596.269
where: short stacking energy: -702.623
Base-Backbone interact. energy: 7.469
local terms energy: -828.398582
where:
bonds (distance) C4'-P energy: -168.830
bonds (distance) P-C4' energy: -185.104
flat angles C4'-P-C4' energy: -175.465
flat angles P-C4'-P energy: -120.444
tors. eta vs tors. theta energy: -178.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -2093.875054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.875054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.875054 (E_RNA)
where:
Base-Base interactions energy: -1351.128
where: short stacking energy: -579.696
Base-Backbone interact. energy: -1.394
local terms energy: -741.352602
where:
bonds (distance) C4'-P energy: -174.076
bonds (distance) P-C4' energy: -170.387
flat angles C4'-P-C4' energy: -168.114
flat angles P-C4'-P energy: -99.545
tors. eta vs tors. theta energy: -129.231
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: 5, replica: 1
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -1827.966070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.966070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.966070 (E_RNA)
where:
Base-Base interactions energy: -1124.887
where: short stacking energy: -511.320
Base-Backbone interact. energy: 0.470
local terms energy: -703.549588
where:
bonds (distance) C4'-P energy: -153.046
bonds (distance) P-C4' energy: -167.145
flat angles C4'-P-C4' energy: -167.653
flat angles P-C4'-P energy: -95.885
tors. eta vs tors. theta energy: -119.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -1497.560658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.560658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.560658 (E_RNA)
where:
Base-Base interactions energy: -857.043
where: short stacking energy: -446.052
Base-Backbone interact. energy: -0.185
local terms energy: -640.333026
where:
bonds (distance) C4'-P energy: -162.561
bonds (distance) P-C4' energy: -152.050
flat angles C4'-P-C4' energy: -164.800
flat angles P-C4'-P energy: -84.187
tors. eta vs tors. theta energy: -76.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -1306.736646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.736646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.736646 (E_RNA)
where:
Base-Base interactions energy: -723.187
where: short stacking energy: -381.323
Base-Backbone interact. energy: 3.966
local terms energy: -587.516195
where:
bonds (distance) C4'-P energy: -143.879
bonds (distance) P-C4' energy: -154.141
flat angles C4'-P-C4' energy: -154.541
flat angles P-C4'-P energy: -75.380
tors. eta vs tors. theta energy: -59.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -1142.812709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.812709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.812709 (E_RNA)
where:
Base-Base interactions energy: -598.764
where: short stacking energy: -331.109
Base-Backbone interact. energy: 2.173
local terms energy: -546.221240
where:
bonds (distance) C4'-P energy: -129.371
bonds (distance) P-C4' energy: -144.035
flat angles C4'-P-C4' energy: -154.490
flat angles P-C4'-P energy: -83.598
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: 9, replica: 9
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -766.440550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.440550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.440550 (E_RNA)
where:
Base-Base interactions energy: -316.014
where: short stacking energy: -224.264
Base-Backbone interact. energy: -2.099
local terms energy: -448.327142
where:
bonds (distance) C4'-P energy: -129.461
bonds (distance) P-C4' energy: -153.518
flat angles C4'-P-C4' energy: -114.206
flat angles P-C4'-P energy: -77.602
tors. eta vs tors. theta energy: 26.460
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: 4
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -645.170947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.170947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.170947 (E_RNA)
where:
Base-Base interactions energy: -233.181
where: short stacking energy: -201.814
Base-Backbone interact. energy: 2.783
local terms energy: -414.773869
where:
bonds (distance) C4'-P energy: -153.480
bonds (distance) P-C4' energy: -136.743
flat angles C4'-P-C4' energy: -103.237
flat angles P-C4'-P energy: -43.609
tors. eta vs tors. theta energy: 22.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -2496.289739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2496.289739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2496.289739 (E_RNA)
where:
Base-Base interactions energy: -1628.132
where: short stacking energy: -740.901
Base-Backbone interact. energy: -0.891
local terms energy: -867.266211
where:
bonds (distance) C4'-P energy: -172.194
bonds (distance) P-C4' energy: -173.102
flat angles C4'-P-C4' energy: -204.619
flat angles P-C4'-P energy: -120.794
tors. eta vs tors. theta energy: -196.557
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: 3
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -2554.362992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2554.362992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2554.362992 (E_RNA)
where:
Base-Base interactions energy: -1682.206
where: short stacking energy: -748.567
Base-Backbone interact. energy: -1.603
local terms energy: -870.553909
where:
bonds (distance) C4'-P energy: -183.174
bonds (distance) P-C4' energy: -179.598
flat angles C4'-P-C4' energy: -189.836
flat angles P-C4'-P energy: -106.006
tors. eta vs tors. theta energy: -211.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -2401.479750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2401.479750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2401.479750 (E_RNA)
where:
Base-Base interactions energy: -1535.192
where: short stacking energy: -710.991
Base-Backbone interact. energy: -5.714
local terms energy: -860.574334
where:
bonds (distance) C4'-P energy: -161.263
bonds (distance) P-C4' energy: -169.626
flat angles C4'-P-C4' energy: -193.265
flat angles P-C4'-P energy: -141.057
tors. eta vs tors. theta energy: -195.364
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: 4, replica: 6
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -2042.438238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.438238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.438238 (E_RNA)
where:
Base-Base interactions energy: -1314.238
where: short stacking energy: -565.763
Base-Backbone interact. energy: -0.571
local terms energy: -727.628596
where:
bonds (distance) C4'-P energy: -161.043
bonds (distance) P-C4' energy: -157.708
flat angles C4'-P-C4' energy: -164.961
flat angles P-C4'-P energy: -121.738
tors. eta vs tors. theta energy: -122.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -1750.741769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.741769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.741769 (E_RNA)
where:
Base-Base interactions energy: -1064.693
where: short stacking energy: -500.189
Base-Backbone interact. energy: -0.876
local terms energy: -685.172959
where:
bonds (distance) C4'-P energy: -128.282
bonds (distance) P-C4' energy: -158.867
flat angles C4'-P-C4' energy: -170.960
flat angles P-C4'-P energy: -123.204
tors. eta vs tors. theta energy: -103.860
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: 2
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -1531.581220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.581220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.581220 (E_RNA)
where:
Base-Base interactions energy: -870.629
where: short stacking energy: -473.252
Base-Backbone interact. energy: 2.556
local terms energy: -663.507710
where:
bonds (distance) C4'-P energy: -152.826
bonds (distance) P-C4' energy: -159.874
flat angles C4'-P-C4' energy: -163.158
flat angles P-C4'-P energy: -101.558
tors. eta vs tors. theta energy: -86.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -1375.380774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.380774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.380774 (E_RNA)
where:
Base-Base interactions energy: -796.456
where: short stacking energy: -424.012
Base-Backbone interact. energy: -0.067
local terms energy: -578.857884
where:
bonds (distance) C4'-P energy: -137.366
bonds (distance) P-C4' energy: -159.888
flat angles C4'-P-C4' energy: -128.752
flat angles P-C4'-P energy: -93.552
tors. eta vs tors. theta energy: -59.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -1160.663834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.663834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.663834 (E_RNA)
where:
Base-Base interactions energy: -636.134
where: short stacking energy: -333.421
Base-Backbone interact. energy: 3.644
local terms energy: -528.174423
where:
bonds (distance) C4'-P energy: -143.105
bonds (distance) P-C4' energy: -149.864
flat angles C4'-P-C4' energy: -136.314
flat angles P-C4'-P energy: -68.554
tors. eta vs tors. theta energy: -30.338
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: 9, replica: 9
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -786.749263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.749263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.749263 (E_RNA)
where:
Base-Base interactions energy: -315.231
where: short stacking energy: -234.372
Base-Backbone interact. energy: 1.178
local terms energy: -472.696573
where:
bonds (distance) C4'-P energy: -129.474
bonds (distance) P-C4' energy: -151.529
flat angles C4'-P-C4' energy: -121.520
flat angles P-C4'-P energy: -79.854
tors. eta vs tors. theta energy: 9.680
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: 4
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -695.610942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.610942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.610942 (E_RNA)
where:
Base-Base interactions energy: -243.722
where: short stacking energy: -186.496
Base-Backbone interact. energy: 1.917
local terms energy: -453.806327
where:
bonds (distance) C4'-P energy: -135.917
bonds (distance) P-C4' energy: -147.906
flat angles C4'-P-C4' energy: -121.623
flat angles P-C4'-P energy: -82.465
tors. eta vs tors. theta energy: 34.104
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: 3
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -2560.876309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2560.876309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2560.876309 (E_RNA)
where:
Base-Base interactions energy: -1627.600
where: short stacking energy: -736.156
Base-Backbone interact. energy: -3.965
local terms energy: -929.311413
where:
bonds (distance) C4'-P energy: -183.550
bonds (distance) P-C4' energy: -204.200
flat angles C4'-P-C4' energy: -204.485
flat angles P-C4'-P energy: -129.569
tors. eta vs tors. theta energy: -207.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -2427.761079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2427.761079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2427.761079 (E_RNA)
where:
Base-Base interactions energy: -1592.686
where: short stacking energy: -717.419
Base-Backbone interact. energy: -0.323
local terms energy: -834.751558
where:
bonds (distance) C4'-P energy: -174.058
bonds (distance) P-C4' energy: -166.275
flat angles C4'-P-C4' energy: -187.567
flat angles P-C4'-P energy: -131.042
tors. eta vs tors. theta energy: -175.809
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: 10
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -2363.580268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2363.580268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2363.580268 (E_RNA)
where:
Base-Base interactions energy: -1543.567
where: short stacking energy: -710.786
Base-Backbone interact. energy: -2.994
local terms energy: -817.018956
where:
bonds (distance) C4'-P energy: -158.657
bonds (distance) P-C4' energy: -169.785
flat angles C4'-P-C4' energy: -180.677
flat angles P-C4'-P energy: -120.889
tors. eta vs tors. theta energy: -187.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -2085.138077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.138077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.138077 (E_RNA)
where:
Base-Base interactions energy: -1328.045
where: short stacking energy: -611.843
Base-Backbone interact. energy: -3.096
local terms energy: -753.997442
where:
bonds (distance) C4'-P energy: -149.976
bonds (distance) P-C4' energy: -165.780
flat angles C4'-P-C4' energy: -161.811
flat angles P-C4'-P energy: -131.627
tors. eta vs tors. theta energy: -144.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -1830.939046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.939046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.939046 (E_RNA)
where:
Base-Base interactions energy: -1138.990
where: short stacking energy: -523.362
Base-Backbone interact. energy: -2.472
local terms energy: -689.476172
where:
bonds (distance) C4'-P energy: -155.566
bonds (distance) P-C4' energy: -169.520
flat angles C4'-P-C4' energy: -156.156
flat angles P-C4'-P energy: -104.520
tors. eta vs tors. theta energy: -103.714
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: 2
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -1489.818013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.818013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.818013 (E_RNA)
where:
Base-Base interactions energy: -820.480
where: short stacking energy: -446.761
Base-Backbone interact. energy: 3.963
local terms energy: -673.301414
where:
bonds (distance) C4'-P energy: -153.317
bonds (distance) P-C4' energy: -173.234
flat angles C4'-P-C4' energy: -163.911
flat angles P-C4'-P energy: -97.024
tors. eta vs tors. theta energy: -85.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -1473.731576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.731576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.731576 (E_RNA)
where:
Base-Base interactions energy: -843.543
where: short stacking energy: -407.465
Base-Backbone interact. energy: 0.494
local terms energy: -630.682702
where:
bonds (distance) C4'-P energy: -153.332
bonds (distance) P-C4' energy: -170.860
flat angles C4'-P-C4' energy: -149.998
flat angles P-C4'-P energy: -109.559
tors. eta vs tors. theta energy: -46.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -1060.903054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.903054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.903054 (E_RNA)
where:
Base-Base interactions energy: -582.802
where: short stacking energy: -298.267
Base-Backbone interact. energy: 3.439
local terms energy: -481.540559
where:
bonds (distance) C4'-P energy: -112.441
bonds (distance) P-C4' energy: -154.109
flat angles C4'-P-C4' energy: -131.818
flat angles P-C4'-P energy: -77.392
tors. eta vs tors. theta energy: -5.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -824.846708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.846708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.846708 (E_RNA)
where:
Base-Base interactions energy: -334.665
where: short stacking energy: -216.334
Base-Backbone interact. energy: 2.559
local terms energy: -492.741129
where:
bonds (distance) C4'-P energy: -142.327
bonds (distance) P-C4' energy: -158.629
flat angles C4'-P-C4' energy: -134.262
flat angles P-C4'-P energy: -82.977
tors. eta vs tors. theta energy: 25.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -710.658575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.658575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.658575 (E_RNA)
where:
Base-Base interactions energy: -292.500
where: short stacking energy: -175.213
Base-Backbone interact. energy: -5.112
local terms energy: -413.046886
where:
bonds (distance) C4'-P energy: -118.397
bonds (distance) P-C4' energy: -136.048
flat angles C4'-P-C4' energy: -112.749
flat angles P-C4'-P energy: -70.780
tors. eta vs tors. theta energy: 24.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -2592.543696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2592.543696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2592.543696 (E_RNA)
where:
Base-Base interactions energy: -1689.330
where: short stacking energy: -778.014
Base-Backbone interact. energy: 0.134
local terms energy: -903.348067
where:
bonds (distance) C4'-P energy: -188.264
bonds (distance) P-C4' energy: -184.920
flat angles C4'-P-C4' energy: -183.273
flat angles P-C4'-P energy: -136.949
tors. eta vs tors. theta energy: -209.943
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: 2, replica: 10
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -2525.026103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2525.026103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2525.026103 (E_RNA)
where:
Base-Base interactions energy: -1660.178
where: short stacking energy: -760.568
Base-Backbone interact. energy: -5.230
local terms energy: -859.617713
where:
bonds (distance) C4'-P energy: -158.781
bonds (distance) P-C4' energy: -174.621
flat angles C4'-P-C4' energy: -194.183
flat angles P-C4'-P energy: -116.206
tors. eta vs tors. theta energy: -215.827
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: 5
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -2275.697365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2275.697365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2275.697365 (E_RNA)
where:
Base-Base interactions energy: -1463.015
where: short stacking energy: -653.398
Base-Backbone interact. energy: -2.525
local terms energy: -810.157545
where:
bonds (distance) C4'-P energy: -153.349
bonds (distance) P-C4' energy: -188.222
flat angles C4'-P-C4' energy: -185.111
flat angles P-C4'-P energy: -103.237
tors. eta vs tors. theta energy: -180.238
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: 4, replica: 6
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -2097.769585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.769585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.769585 (E_RNA)
where:
Base-Base interactions energy: -1322.042
where: short stacking energy: -616.089
Base-Backbone interact. energy: 1.744
local terms energy: -777.471701
where:
bonds (distance) C4'-P energy: -169.836
bonds (distance) P-C4' energy: -169.451
flat angles C4'-P-C4' energy: -183.841
flat angles P-C4'-P energy: -104.946
tors. eta vs tors. theta energy: -149.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -1877.826869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.826869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.826869 (E_RNA)
where:
Base-Base interactions energy: -1164.335
where: short stacking energy: -529.978
Base-Backbone interact. energy: 6.417
local terms energy: -719.908751
where:
bonds (distance) C4'-P energy: -166.003
bonds (distance) P-C4' energy: -156.329
flat angles C4'-P-C4' energy: -168.201
flat angles P-C4'-P energy: -108.588
tors. eta vs tors. theta energy: -120.788
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: 2
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -1481.263108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.263108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.263108 (E_RNA)
where:
Base-Base interactions energy: -864.156
where: short stacking energy: -437.420
Base-Backbone interact. energy: -0.665
local terms energy: -616.442971
where:
bonds (distance) C4'-P energy: -150.173
bonds (distance) P-C4' energy: -141.200
flat angles C4'-P-C4' energy: -156.063
flat angles P-C4'-P energy: -94.410
tors. eta vs tors. theta energy: -74.596
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: 53
Temperature: 1.200000
Total energy: -1506.848608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.848608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.848608 (E_RNA)
where:
Base-Base interactions energy: -861.208
where: short stacking energy: -411.711
Base-Backbone interact. energy: -1.500
local terms energy: -644.141076
where:
bonds (distance) C4'-P energy: -145.827
bonds (distance) P-C4' energy: -172.781
flat angles C4'-P-C4' energy: -155.120
flat angles P-C4'-P energy: -101.982
tors. eta vs tors. theta energy: -68.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -1070.582344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.582344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.582344 (E_RNA)
where:
Base-Base interactions energy: -521.954
where: short stacking energy: -307.144
Base-Backbone interact. energy: -2.394
local terms energy: -546.234388
where:
bonds (distance) C4'-P energy: -161.320
bonds (distance) P-C4' energy: -163.243
flat angles C4'-P-C4' energy: -127.569
flat angles P-C4'-P energy: -68.023
tors. eta vs tors. theta energy: -26.079
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: 9, replica: 9
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -783.407005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.407005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.407005 (E_RNA)
where:
Base-Base interactions energy: -300.822
where: short stacking energy: -207.659
Base-Backbone interact. energy: -0.255
local terms energy: -482.330090
where:
bonds (distance) C4'-P energy: -149.179
bonds (distance) P-C4' energy: -165.760
flat angles C4'-P-C4' energy: -110.458
flat angles P-C4'-P energy: -74.260
tors. eta vs tors. theta energy: 17.327
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: 4
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -721.366709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.366709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.366709 (E_RNA)
where:
Base-Base interactions energy: -277.808
where: short stacking energy: -206.473
Base-Backbone interact. energy: 4.680
local terms energy: -448.239539
where:
bonds (distance) C4'-P energy: -120.043
bonds (distance) P-C4' energy: -150.710
flat angles C4'-P-C4' energy: -134.766
flat angles P-C4'-P energy: -62.817
tors. eta vs tors. theta energy: 20.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -2619.881394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2619.881394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2619.881394 (E_RNA)
where:
Base-Base interactions energy: -1762.777
where: short stacking energy: -801.269
Base-Backbone interact. energy: 0.071
local terms energy: -857.175866
where:
bonds (distance) C4'-P energy: -158.450
bonds (distance) P-C4' energy: -190.555
flat angles C4'-P-C4' energy: -191.049
flat angles P-C4'-P energy: -106.854
tors. eta vs tors. theta energy: -210.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -2559.449132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2559.449132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2559.449132 (E_RNA)
where:
Base-Base interactions energy: -1683.561
where: short stacking energy: -756.356
Base-Backbone interact. energy: -6.524
local terms energy: -869.364154
where:
bonds (distance) C4'-P energy: -171.886
bonds (distance) P-C4' energy: -160.358
flat angles C4'-P-C4' energy: -204.907
flat angles P-C4'-P energy: -116.836
tors. eta vs tors. theta energy: -215.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -2224.516654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2224.516654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2224.516654 (E_RNA)
where:
Base-Base interactions energy: -1438.128
where: short stacking energy: -628.252
Base-Backbone interact. energy: -2.590
local terms energy: -783.798090
where:
bonds (distance) C4'-P energy: -156.120
bonds (distance) P-C4' energy: -173.883
flat angles C4'-P-C4' energy: -188.089
flat angles P-C4'-P energy: -104.470
tors. eta vs tors. theta energy: -161.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -2100.886598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.886598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.886598 (E_RNA)
where:
Base-Base interactions energy: -1341.433
where: short stacking energy: -619.917
Base-Backbone interact. energy: -2.110
local terms energy: -757.343058
where:
bonds (distance) C4'-P energy: -147.121
bonds (distance) P-C4' energy: -152.213
flat angles C4'-P-C4' energy: -173.487
flat angles P-C4'-P energy: -123.708
tors. eta vs tors. theta energy: -160.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -1781.559919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.559919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.559919 (E_RNA)
where:
Base-Base interactions energy: -1115.113
where: short stacking energy: -512.827
Base-Backbone interact. energy: 3.146
local terms energy: -669.592467
where:
bonds (distance) C4'-P energy: -153.828
bonds (distance) P-C4' energy: -156.925
flat angles C4'-P-C4' energy: -158.656
flat angles P-C4'-P energy: -83.743
tors. eta vs tors. theta energy: -116.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -1504.093104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.093104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.093104 (E_RNA)
where:
Base-Base interactions energy: -851.870
where: short stacking energy: -420.486
Base-Backbone interact. energy: -2.613
local terms energy: -649.610046
where:
bonds (distance) C4'-P energy: -155.701
bonds (distance) P-C4' energy: -171.761
flat angles C4'-P-C4' energy: -163.963
flat angles P-C4'-P energy: -93.406
tors. eta vs tors. theta energy: -64.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -1522.820379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.820379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.820379 (E_RNA)
where:
Base-Base interactions energy: -879.308
where: short stacking energy: -460.723
Base-Backbone interact. energy: -0.694
local terms energy: -642.818317
where:
bonds (distance) C4'-P energy: -140.595
bonds (distance) P-C4' energy: -142.998
flat angles C4'-P-C4' energy: -166.769
flat angles P-C4'-P energy: -108.540
tors. eta vs tors. theta energy: -83.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -1078.642462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.642462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.642462 (E_RNA)
where:
Base-Base interactions energy: -553.075
where: short stacking energy: -258.668
Base-Backbone interact. energy: 4.624
local terms energy: -530.191636
where:
bonds (distance) C4'-P energy: -140.139
bonds (distance) P-C4' energy: -169.785
flat angles C4'-P-C4' energy: -145.276
flat angles P-C4'-P energy: -66.913
tors. eta vs tors. theta energy: -8.079
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: 9, replica: 9
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -795.242684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.242684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.242684 (E_RNA)
where:
Base-Base interactions energy: -327.666
where: short stacking energy: -181.881
Base-Backbone interact. energy: 2.133
local terms energy: -469.709724
where:
bonds (distance) C4'-P energy: -162.641
bonds (distance) P-C4' energy: -140.594
flat angles C4'-P-C4' energy: -134.909
flat angles P-C4'-P energy: -54.813
tors. eta vs tors. theta energy: 23.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -725.230729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.230729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.230729 (E_RNA)
where:
Base-Base interactions energy: -281.687
where: short stacking energy: -193.483
Base-Backbone interact. energy: -0.873
local terms energy: -442.670577
where:
bonds (distance) C4'-P energy: -163.289
bonds (distance) P-C4' energy: -167.080
flat angles C4'-P-C4' energy: -104.014
flat angles P-C4'-P energy: -45.441
tors. eta vs tors. theta energy: 37.154
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: 1, replica: 3
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -2654.532329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2654.532329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2654.532329 (E_RNA)
where:
Base-Base interactions energy: -1787.140
where: short stacking energy: -803.399
Base-Backbone interact. energy: -1.744
local terms energy: -866.147242
where:
bonds (distance) C4'-P energy: -167.642
bonds (distance) P-C4' energy: -177.059
flat angles C4'-P-C4' energy: -204.832
flat angles P-C4'-P energy: -106.933
tors. eta vs tors. theta energy: -209.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.499 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -2461.201304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2461.201304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2461.201304 (E_RNA)
where:
Base-Base interactions energy: -1606.920
where: short stacking energy: -693.347
Base-Backbone interact. energy: -3.224
local terms energy: -851.057733
where:
bonds (distance) C4'-P energy: -174.537
bonds (distance) P-C4' energy: -178.299
flat angles C4'-P-C4' energy: -185.634
flat angles P-C4'-P energy: -120.945
tors. eta vs tors. theta energy: -191.643
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: 5
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -2268.426981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.426981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2268.426981 (E_RNA)
where:
Base-Base interactions energy: -1477.133
where: short stacking energy: -669.280
Base-Backbone interact. energy: 0.512
local terms energy: -791.805745
where:
bonds (distance) C4'-P energy: -151.974
bonds (distance) P-C4' energy: -170.912
flat angles C4'-P-C4' energy: -184.289
flat angles P-C4'-P energy: -115.094
tors. eta vs tors. theta energy: -169.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -2147.148959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2147.148959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.148959 (E_RNA)
where:
Base-Base interactions energy: -1359.867
where: short stacking energy: -610.149
Base-Backbone interact. energy: -2.010
local terms energy: -785.272057
where:
bonds (distance) C4'-P energy: -170.053
bonds (distance) P-C4' energy: -172.765
flat angles C4'-P-C4' energy: -168.695
flat angles P-C4'-P energy: -113.337
tors. eta vs tors. theta energy: -160.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -1779.879897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.879897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.879897 (E_RNA)
where:
Base-Base interactions energy: -1068.756
where: short stacking energy: -513.141
Base-Backbone interact. energy: -1.955
local terms energy: -709.168478
where:
bonds (distance) C4'-P energy: -139.765
bonds (distance) P-C4' energy: -168.452
flat angles C4'-P-C4' energy: -157.568
flat angles P-C4'-P energy: -115.058
tors. eta vs tors. theta energy: -128.326
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: 7
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -1605.186349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.186349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.186349 (E_RNA)
where:
Base-Base interactions energy: -941.752
where: short stacking energy: -462.286
Base-Backbone interact. energy: 5.124
local terms energy: -668.557812
where:
bonds (distance) C4'-P energy: -161.667
bonds (distance) P-C4' energy: -161.216
flat angles C4'-P-C4' energy: -143.923
flat angles P-C4'-P energy: -106.020
tors. eta vs tors. theta energy: -95.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -1378.548790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.548790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.548790 (E_RNA)
where:
Base-Base interactions energy: -813.548
where: short stacking energy: -389.978
Base-Backbone interact. energy: -1.656
local terms energy: -563.344916
where:
bonds (distance) C4'-P energy: -150.857
bonds (distance) P-C4' energy: -133.838
flat angles C4'-P-C4' energy: -144.217
flat angles P-C4'-P energy: -88.545
tors. eta vs tors. theta energy: -45.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -1086.907346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.907346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.907346 (E_RNA)
where:
Base-Base interactions energy: -547.411
where: short stacking energy: -302.217
Base-Backbone interact. energy: -2.278
local terms energy: -537.218595
where:
bonds (distance) C4'-P energy: -137.877
bonds (distance) P-C4' energy: -162.172
flat angles C4'-P-C4' energy: -139.035
flat angles P-C4'-P energy: -76.373
tors. eta vs tors. theta energy: -21.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -797.506115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.506115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.506115 (E_RNA)
where:
Base-Base interactions energy: -345.185
where: short stacking energy: -253.209
Base-Backbone interact. energy: 2.964
local terms energy: -456.061549
where:
bonds (distance) C4'-P energy: -117.195
bonds (distance) P-C4' energy: -146.471
flat angles C4'-P-C4' energy: -124.023
flat angles P-C4'-P energy: -87.493
tors. eta vs tors. theta energy: 19.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.777 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -663.156431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.156431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.156431 (E_RNA)
where:
Base-Base interactions energy: -234.741
where: short stacking energy: -191.510
Base-Backbone interact. energy: -2.463
local terms energy: -425.952090
where:
bonds (distance) C4'-P energy: -132.025
bonds (distance) P-C4' energy: -131.434
flat angles C4'-P-C4' energy: -97.314
flat angles P-C4'-P energy: -76.637
tors. eta vs tors. theta energy: 11.457
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: 3
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -2673.063344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2673.063344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2673.063344 (E_RNA)
where:
Base-Base interactions energy: -1776.315
where: short stacking energy: -821.070
Base-Backbone interact. energy: 0.372
local terms energy: -897.121037
where:
bonds (distance) C4'-P energy: -166.096
bonds (distance) P-C4' energy: -189.100
flat angles C4'-P-C4' energy: -190.994
flat angles P-C4'-P energy: -124.989
tors. eta vs tors. theta energy: -225.943
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: 2, replica: 10
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -2541.550422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2541.550422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2541.550422 (E_RNA)
where:
Base-Base interactions energy: -1671.130
where: short stacking energy: -777.735
Base-Backbone interact. energy: 0.400
local terms energy: -870.820313
where:
bonds (distance) C4'-P energy: -181.346
bonds (distance) P-C4' energy: -171.117
flat angles C4'-P-C4' energy: -187.476
flat angles P-C4'-P energy: -121.560
tors. eta vs tors. theta energy: -209.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -2288.865665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2288.865665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2288.865665 (E_RNA)
where:
Base-Base interactions energy: -1473.280
where: short stacking energy: -667.642
Base-Backbone interact. energy: -4.232
local terms energy: -811.353714
where:
bonds (distance) C4'-P energy: -185.040
bonds (distance) P-C4' energy: -166.030
flat angles C4'-P-C4' energy: -177.166
flat angles P-C4'-P energy: -97.704
tors. eta vs tors. theta energy: -185.413
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: 6
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -2196.296911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.296911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.296911 (E_RNA)
where:
Base-Base interactions energy: -1440.840
where: short stacking energy: -630.425
Base-Backbone interact. energy: 1.857
local terms energy: -757.313851
where:
bonds (distance) C4'-P energy: -156.184
bonds (distance) P-C4' energy: -162.032
flat angles C4'-P-C4' energy: -167.527
flat angles P-C4'-P energy: -103.997
tors. eta vs tors. theta energy: -167.575
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: 1
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -1885.213337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.213337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.213337 (E_RNA)
where:
Base-Base interactions energy: -1194.365
where: short stacking energy: -562.066
Base-Backbone interact. energy: -0.056
local terms energy: -690.792222
where:
bonds (distance) C4'-P energy: -133.993
bonds (distance) P-C4' energy: -179.254
flat angles C4'-P-C4' energy: -151.175
flat angles P-C4'-P energy: -90.350
tors. eta vs tors. theta energy: -136.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -1576.475244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.475244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.475244 (E_RNA)
where:
Base-Base interactions energy: -930.065
where: short stacking energy: -494.641
Base-Backbone interact. energy: -0.552
local terms energy: -645.858410
where:
bonds (distance) C4'-P energy: -137.584
bonds (distance) P-C4' energy: -164.042
flat angles C4'-P-C4' energy: -149.819
flat angles P-C4'-P energy: -104.011
tors. eta vs tors. theta energy: -90.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -1383.840445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.840445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.840445 (E_RNA)
where:
Base-Base interactions energy: -801.188
where: short stacking energy: -399.209
Base-Backbone interact. energy: 4.030
local terms energy: -586.682890
where:
bonds (distance) C4'-P energy: -137.672
bonds (distance) P-C4' energy: -171.081
flat angles C4'-P-C4' energy: -145.392
flat angles P-C4'-P energy: -73.007
tors. eta vs tors. theta energy: -59.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -1089.028192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.028192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.028192 (E_RNA)
where:
Base-Base interactions energy: -552.753
where: short stacking energy: -331.094
Base-Backbone interact. energy: 3.549
local terms energy: -539.824331
where:
bonds (distance) C4'-P energy: -157.209
bonds (distance) P-C4' energy: -151.287
flat angles C4'-P-C4' energy: -138.218
flat angles P-C4'-P energy: -77.421
tors. eta vs tors. theta energy: -15.689
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: 56
Temperature: 1.300000
Total energy: -829.291575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.291575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.291575 (E_RNA)
where:
Base-Base interactions energy: -325.293
where: short stacking energy: -225.494
Base-Backbone interact. energy: -3.428
local terms energy: -500.570315
where:
bonds (distance) C4'-P energy: -140.137
bonds (distance) P-C4' energy: -179.025
flat angles C4'-P-C4' energy: -130.312
flat angles P-C4'-P energy: -67.936
tors. eta vs tors. theta energy: 16.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -719.809587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.809587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.809587 (E_RNA)
where:
Base-Base interactions energy: -276.692
where: short stacking energy: -193.285
Base-Backbone interact. energy: 0.703
local terms energy: -443.819887
where:
bonds (distance) C4'-P energy: -139.274
bonds (distance) P-C4' energy: -134.069
flat angles C4'-P-C4' energy: -106.668
flat angles P-C4'-P energy: -89.784
tors. eta vs tors. theta energy: 25.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -2673.138531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2673.138531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2673.138531 (E_RNA)
where:
Base-Base interactions energy: -1762.520
where: short stacking energy: -752.809
Base-Backbone interact. energy: -0.409
local terms energy: -910.209305
where:
bonds (distance) C4'-P energy: -189.672
bonds (distance) P-C4' energy: -187.208
flat angles C4'-P-C4' energy: -194.070
flat angles P-C4'-P energy: -129.417
tors. eta vs tors. theta energy: -209.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -2568.624484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2568.624484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2568.624484 (E_RNA)
where:
Base-Base interactions energy: -1666.423
where: short stacking energy: -782.207
Base-Backbone interact. energy: 1.885
local terms energy: -904.086715
where:
bonds (distance) C4'-P energy: -186.687
bonds (distance) P-C4' energy: -169.512
flat angles C4'-P-C4' energy: -189.793
flat angles P-C4'-P energy: -127.604
tors. eta vs tors. theta energy: -230.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -2229.324593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2229.324593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2229.324593 (E_RNA)
where:
Base-Base interactions energy: -1456.727
where: short stacking energy: -664.540
Base-Backbone interact. energy: -1.257
local terms energy: -771.340334
where:
bonds (distance) C4'-P energy: -160.894
bonds (distance) P-C4' energy: -156.622
flat angles C4'-P-C4' energy: -175.078
flat angles P-C4'-P energy: -112.361
tors. eta vs tors. theta energy: -166.385
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: 6
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -2206.351084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.351084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.351084 (E_RNA)
where:
Base-Base interactions energy: -1455.668
where: short stacking energy: -650.829
Base-Backbone interact. energy: -2.897
local terms energy: -747.785910
where:
bonds (distance) C4'-P energy: -155.085
bonds (distance) P-C4' energy: -161.937
flat angles C4'-P-C4' energy: -172.070
flat angles P-C4'-P energy: -94.542
tors. eta vs tors. theta energy: -164.152
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: 5, replica: 1
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -1864.448573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.448573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.448573 (E_RNA)
where:
Base-Base interactions energy: -1158.612
where: short stacking energy: -518.106
Base-Backbone interact. energy: -4.782
local terms energy: -701.053848
where:
bonds (distance) C4'-P energy: -157.754
bonds (distance) P-C4' energy: -168.113
flat angles C4'-P-C4' energy: -145.088
flat angles P-C4'-P energy: -112.949
tors. eta vs tors. theta energy: -117.150
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: 6, replica: 7
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -1557.902379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.902379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.902379 (E_RNA)
where:
Base-Base interactions energy: -898.258
where: short stacking energy: -468.976
Base-Backbone interact. energy: 0.705
local terms energy: -660.349604
where:
bonds (distance) C4'-P energy: -149.188
bonds (distance) P-C4' energy: -166.876
flat angles C4'-P-C4' energy: -144.648
flat angles P-C4'-P energy: -115.921
tors. eta vs tors. theta energy: -83.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -1315.227132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.227132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.227132 (E_RNA)
where:
Base-Base interactions energy: -719.749
where: short stacking energy: -361.866
Base-Backbone interact. energy: -3.436
local terms energy: -592.042516
where:
bonds (distance) C4'-P energy: -135.896
bonds (distance) P-C4' energy: -159.573
flat angles C4'-P-C4' energy: -159.868
flat angles P-C4'-P energy: -75.269
tors. eta vs tors. theta energy: -61.436
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: 8
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -1063.128845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.128845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.128845 (E_RNA)
where:
Base-Base interactions energy: -529.568
where: short stacking energy: -298.769
Base-Backbone interact. energy: -1.718
local terms energy: -531.842620
where:
bonds (distance) C4'-P energy: -145.783
bonds (distance) P-C4' energy: -140.330
flat angles C4'-P-C4' energy: -141.969
flat angles P-C4'-P energy: -91.134
tors. eta vs tors. theta energy: -12.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -787.107503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.107503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.107503 (E_RNA)
where:
Base-Base interactions energy: -345.989
where: short stacking energy: -217.094
Base-Backbone interact. energy: 9.378
local terms energy: -450.496858
where:
bonds (distance) C4'-P energy: -129.072
bonds (distance) P-C4' energy: -160.009
flat angles C4'-P-C4' energy: -114.050
flat angles P-C4'-P energy: -77.247
tors. eta vs tors. theta energy: 29.882
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: 4
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -651.996336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.996336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.996336 (E_RNA)
where:
Base-Base interactions energy: -228.007
where: short stacking energy: -177.203
Base-Backbone interact. energy: 3.883
local terms energy: -427.872010
where:
bonds (distance) C4'-P energy: -141.497
bonds (distance) P-C4' energy: -126.102
flat angles C4'-P-C4' energy: -115.420
flat angles P-C4'-P energy: -76.422
tors. eta vs tors. theta energy: 31.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -2649.502157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2649.502157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2649.502157 (E_RNA)
where:
Base-Base interactions energy: -1759.760
where: short stacking energy: -806.055
Base-Backbone interact. energy: -3.733
local terms energy: -886.009444
where:
bonds (distance) C4'-P energy: -168.196
bonds (distance) P-C4' energy: -181.354
flat angles C4'-P-C4' energy: -201.059
flat angles P-C4'-P energy: -116.374
tors. eta vs tors. theta energy: -219.025
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: 2, replica: 10
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -2525.508828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2525.508828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2525.508828 (E_RNA)
where:
Base-Base interactions energy: -1649.780
where: short stacking energy: -761.320
Base-Backbone interact. energy: -2.083
local terms energy: -873.645329
where:
bonds (distance) C4'-P energy: -176.087
bonds (distance) P-C4' energy: -187.717
flat angles C4'-P-C4' energy: -179.363
flat angles P-C4'-P energy: -115.886
tors. eta vs tors. theta energy: -214.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -2286.906285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.906285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2286.906285 (E_RNA)
where:
Base-Base interactions energy: -1472.559
where: short stacking energy: -642.997
Base-Backbone interact. energy: -6.405
local terms energy: -807.942404
where:
bonds (distance) C4'-P energy: -165.814
bonds (distance) P-C4' energy: -174.323
flat angles C4'-P-C4' energy: -190.572
flat angles P-C4'-P energy: -93.229
tors. eta vs tors. theta energy: -184.005
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: 4, replica: 5
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -2138.024117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.024117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.024117 (E_RNA)
where:
Base-Base interactions energy: -1361.225
where: short stacking energy: -615.762
Base-Backbone interact. energy: -3.286
local terms energy: -773.512924
where:
bonds (distance) C4'-P energy: -181.307
bonds (distance) P-C4' energy: -167.237
flat angles C4'-P-C4' energy: -165.863
flat angles P-C4'-P energy: -103.705
tors. eta vs tors. theta energy: -155.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -1831.222454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.222454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.222454 (E_RNA)
where:
Base-Base interactions energy: -1107.702
where: short stacking energy: -522.736
Base-Backbone interact. energy: 4.475
local terms energy: -727.995686
where:
bonds (distance) C4'-P energy: -162.168
bonds (distance) P-C4' energy: -172.095
flat angles C4'-P-C4' energy: -179.875
flat angles P-C4'-P energy: -93.542
tors. eta vs tors. theta energy: -120.316
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: 7
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -1648.362035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.362035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.362035 (E_RNA)
where:
Base-Base interactions energy: -1005.305
where: short stacking energy: -461.351
Base-Backbone interact. energy: 6.391
local terms energy: -649.448596
where:
bonds (distance) C4'-P energy: -159.975
bonds (distance) P-C4' energy: -138.594
flat angles C4'-P-C4' energy: -162.069
flat angles P-C4'-P energy: -103.700
tors. eta vs tors. theta energy: -85.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -1304.704016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.704016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.704016 (E_RNA)
where:
Base-Base interactions energy: -727.312
where: short stacking energy: -377.410
Base-Backbone interact. energy: 6.456
local terms energy: -583.848225
where:
bonds (distance) C4'-P energy: -151.898
bonds (distance) P-C4' energy: -164.445
flat angles C4'-P-C4' energy: -128.044
flat angles P-C4'-P energy: -87.801
tors. eta vs tors. theta energy: -51.661
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: 8
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -999.009018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.009018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.009018 (E_RNA)
where:
Base-Base interactions energy: -501.006
where: short stacking energy: -299.061
Base-Backbone interact. energy: -1.670
local terms energy: -496.333223
where:
bonds (distance) C4'-P energy: -132.864
bonds (distance) P-C4' energy: -142.680
flat angles C4'-P-C4' energy: -136.756
flat angles P-C4'-P energy: -81.149
tors. eta vs tors. theta energy: -2.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -760.208974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.208974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.208974 (E_RNA)
where:
Base-Base interactions energy: -311.797
where: short stacking energy: -203.661
Base-Backbone interact. energy: 2.092
local terms energy: -450.503639
where:
bonds (distance) C4'-P energy: -137.424
bonds (distance) P-C4' energy: -144.904
flat angles C4'-P-C4' energy: -118.027
flat angles P-C4'-P energy: -71.639
tors. eta vs tors. theta energy: 21.490
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: 4
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -646.641255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.641255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.641255 (E_RNA)
where:
Base-Base interactions energy: -239.032
where: short stacking energy: -233.990
Base-Backbone interact. energy: 4.260
local terms energy: -411.869130
where:
bonds (distance) C4'-P energy: -139.380
bonds (distance) P-C4' energy: -143.650
flat angles C4'-P-C4' energy: -106.252
flat angles P-C4'-P energy: -53.118
tors. eta vs tors. theta energy: 30.531
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: 3
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -2684.642319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2684.642319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2684.642319 (E_RNA)
where:
Base-Base interactions energy: -1754.795
where: short stacking energy: -808.585
Base-Backbone interact. energy: -4.795
local terms energy: -925.052294
where:
bonds (distance) C4'-P energy: -183.377
bonds (distance) P-C4' energy: -176.745
flat angles C4'-P-C4' energy: -213.429
flat angles P-C4'-P energy: -120.440
tors. eta vs tors. theta energy: -231.060
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: 59
Temperature: 0.950000
Total energy: -2537.616423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2537.616423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2537.616423 (E_RNA)
where:
Base-Base interactions energy: -1621.737
where: short stacking energy: -753.601
Base-Backbone interact. energy: -1.838
local terms energy: -914.040710
where:
bonds (distance) C4'-P energy: -175.356
bonds (distance) P-C4' energy: -196.409
flat angles C4'-P-C4' energy: -190.439
flat angles P-C4'-P energy: -122.251
tors. eta vs tors. theta energy: -229.586
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: 6
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -2285.785535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2285.785535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2285.785535 (E_RNA)
where:
Base-Base interactions energy: -1492.687
where: short stacking energy: -655.212
Base-Backbone interact. energy: -0.554
local terms energy: -792.545220
where:
bonds (distance) C4'-P energy: -166.159
bonds (distance) P-C4' energy: -163.150
flat angles C4'-P-C4' energy: -186.458
flat angles P-C4'-P energy: -109.636
tors. eta vs tors. theta energy: -167.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -2209.198623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2209.198623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.198623 (E_RNA)
where:
Base-Base interactions energy: -1429.793
where: short stacking energy: -666.017
Base-Backbone interact. energy: 2.302
local terms energy: -781.707404
where:
bonds (distance) C4'-P energy: -153.707
bonds (distance) P-C4' energy: -155.442
flat angles C4'-P-C4' energy: -185.055
flat angles P-C4'-P energy: -116.090
tors. eta vs tors. theta energy: -171.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -1853.734922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.734922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.734922 (E_RNA)
where:
Base-Base interactions energy: -1133.602
where: short stacking energy: -553.704
Base-Backbone interact. energy: -1.309
local terms energy: -718.823266
where:
bonds (distance) C4'-P energy: -155.228
bonds (distance) P-C4' energy: -150.173
flat angles C4'-P-C4' energy: -181.531
flat angles P-C4'-P energy: -102.078
tors. eta vs tors. theta energy: -129.813
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: 7
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -1675.546913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.546913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.546913 (E_RNA)
where:
Base-Base interactions energy: -998.046
where: short stacking energy: -484.748
Base-Backbone interact. energy: 5.605
local terms energy: -683.106764
where:
bonds (distance) C4'-P energy: -148.605
bonds (distance) P-C4' energy: -166.316
flat angles C4'-P-C4' energy: -162.264
flat angles P-C4'-P energy: -109.673
tors. eta vs tors. theta energy: -96.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -1272.771091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.771091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.771091 (E_RNA)
where:
Base-Base interactions energy: -686.139
where: short stacking energy: -331.928
Base-Backbone interact. energy: 0.350
local terms energy: -586.982767
where:
bonds (distance) C4'-P energy: -148.073
bonds (distance) P-C4' energy: -164.146
flat angles C4'-P-C4' energy: -150.086
flat angles P-C4'-P energy: -86.213
tors. eta vs tors. theta energy: -38.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -1014.645799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.645799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.645799 (E_RNA)
where:
Base-Base interactions energy: -495.426
where: short stacking energy: -304.985
Base-Backbone interact. energy: 4.133
local terms energy: -523.352830
where:
bonds (distance) C4'-P energy: -149.154
bonds (distance) P-C4' energy: -144.805
flat angles C4'-P-C4' energy: -151.637
flat angles P-C4'-P energy: -67.469
tors. eta vs tors. theta energy: -10.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -808.024083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.024083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.024083 (E_RNA)
where:
Base-Base interactions energy: -352.155
where: short stacking energy: -222.804
Base-Backbone interact. energy: -3.845
local terms energy: -452.024840
where:
bonds (distance) C4'-P energy: -141.182
bonds (distance) P-C4' energy: -150.003
flat angles C4'-P-C4' energy: -108.679
flat angles P-C4'-P energy: -78.825
tors. eta vs tors. theta energy: 26.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -648.301082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.301082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.301082 (E_RNA)
where:
Base-Base interactions energy: -217.350
where: short stacking energy: -173.498
Base-Backbone interact. energy: 6.604
local terms energy: -437.554709
where:
bonds (distance) C4'-P energy: -138.699
bonds (distance) P-C4' energy: -146.089
flat angles C4'-P-C4' energy: -107.375
flat angles P-C4'-P energy: -71.748
tors. eta vs tors. theta energy: 26.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -2663.265848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2663.265848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2663.265848 (E_RNA)
where:
Base-Base interactions energy: -1744.212
where: short stacking energy: -781.002
Base-Backbone interact. energy: -4.542
local terms energy: -914.512171
where:
bonds (distance) C4'-P energy: -184.864
bonds (distance) P-C4' energy: -182.484
flat angles C4'-P-C4' energy: -198.925
flat angles P-C4'-P energy: -121.653
tors. eta vs tors. theta energy: -226.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -2552.372702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2552.372702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2552.372702 (E_RNA)
where:
Base-Base interactions energy: -1686.851
where: short stacking energy: -783.213
Base-Backbone interact. energy: -0.367
local terms energy: -865.154865
where:
bonds (distance) C4'-P energy: -172.920
bonds (distance) P-C4' energy: -178.123
flat angles C4'-P-C4' energy: -184.398
flat angles P-C4'-P energy: -109.902
tors. eta vs tors. theta energy: -219.813
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: 6
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -2345.003206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2345.003206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2345.003206 (E_RNA)
where:
Base-Base interactions energy: -1514.076
where: short stacking energy: -684.813
Base-Backbone interact. energy: -0.697
local terms energy: -830.230816
where:
bonds (distance) C4'-P energy: -169.329
bonds (distance) P-C4' energy: -187.553
flat angles C4'-P-C4' energy: -181.223
flat angles P-C4'-P energy: -114.206
tors. eta vs tors. theta energy: -177.919
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: 4, replica: 5
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -2215.334842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2215.334842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2215.334842 (E_RNA)
where:
Base-Base interactions energy: -1425.119
where: short stacking energy: -649.713
Base-Backbone interact. energy: 1.093
local terms energy: -791.309273
where:
bonds (distance) C4'-P energy: -154.997
bonds (distance) P-C4' energy: -166.153
flat angles C4'-P-C4' energy: -171.097
flat angles P-C4'-P energy: -114.600
tors. eta vs tors. theta energy: -184.462
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: 5, replica: 1
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -1838.549291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.549291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.549291 (E_RNA)
where:
Base-Base interactions energy: -1104.168
where: short stacking energy: -537.014
Base-Backbone interact. energy: -2.876
local terms energy: -731.505587
where:
bonds (distance) C4'-P energy: -166.957
bonds (distance) P-C4' energy: -160.691
flat angles C4'-P-C4' energy: -171.598
flat angles P-C4'-P energy: -113.829
tors. eta vs tors. theta energy: -118.431
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: 6, replica: 7
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -1684.289083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.289083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.289083 (E_RNA)
where:
Base-Base interactions energy: -1038.107
where: short stacking energy: -509.023
Base-Backbone interact. energy: -1.539
local terms energy: -644.643455
where:
bonds (distance) C4'-P energy: -162.468
bonds (distance) P-C4' energy: -123.415
flat angles C4'-P-C4' energy: -166.743
flat angles P-C4'-P energy: -82.408
tors. eta vs tors. theta energy: -109.609
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: 7, replica: 2
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -1319.418925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.418925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.418925 (E_RNA)
where:
Base-Base interactions energy: -732.107
where: short stacking energy: -389.060
Base-Backbone interact. energy: 3.666
local terms energy: -590.978115
where:
bonds (distance) C4'-P energy: -157.423
bonds (distance) P-C4' energy: -140.094
flat angles C4'-P-C4' energy: -148.245
flat angles P-C4'-P energy: -84.358
tors. eta vs tors. theta energy: -60.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -1040.859714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.859714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.859714 (E_RNA)
where:
Base-Base interactions energy: -553.187
where: short stacking energy: -307.083
Base-Backbone interact. energy: 0.358
local terms energy: -488.031289
where:
bonds (distance) C4'-P energy: -137.591
bonds (distance) P-C4' energy: -151.916
flat angles C4'-P-C4' energy: -122.930
flat angles P-C4'-P energy: -64.942
tors. eta vs tors. theta energy: -10.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -798.206320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.206320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.206320 (E_RNA)
where:
Base-Base interactions energy: -336.597
where: short stacking energy: -230.437
Base-Backbone interact. energy: 0.539
local terms energy: -462.147955
where:
bonds (distance) C4'-P energy: -135.990
bonds (distance) P-C4' energy: -162.728
flat angles C4'-P-C4' energy: -141.198
flat angles P-C4'-P energy: -52.738
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: 10, replica: 4
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -647.752148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.752148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.752148 (E_RNA)
where:
Base-Base interactions energy: -223.646
where: short stacking energy: -156.295
Base-Backbone interact. energy: 3.562
local terms energy: -427.667755
where:
bonds (distance) C4'-P energy: -138.996
bonds (distance) P-C4' energy: -142.063
flat angles C4'-P-C4' energy: -113.327
flat angles P-C4'-P energy: -74.429
tors. eta vs tors. theta energy: 41.148
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: 3
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -2651.184997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2651.184997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2651.184997 (E_RNA)
where:
Base-Base interactions energy: -1739.730
where: short stacking energy: -790.665
Base-Backbone interact. energy: -7.964
local terms energy: -903.490807
where:
bonds (distance) C4'-P energy: -165.585
bonds (distance) P-C4' energy: -187.680
flat angles C4'-P-C4' energy: -189.865
flat angles P-C4'-P energy: -141.327
tors. eta vs tors. theta energy: -219.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -2536.038793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2536.038793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2536.038793 (E_RNA)
where:
Base-Base interactions energy: -1653.874
where: short stacking energy: -738.628
Base-Backbone interact. energy: 2.808
local terms energy: -884.972351
where:
bonds (distance) C4'-P energy: -174.908
bonds (distance) P-C4' energy: -178.780
flat angles C4'-P-C4' energy: -194.061
flat angles P-C4'-P energy: -120.380
tors. eta vs tors. theta energy: -216.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -2320.384418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2320.384418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2320.384418 (E_RNA)
where:
Base-Base interactions energy: -1533.286
where: short stacking energy: -660.337
Base-Backbone interact. energy: 0.197
local terms energy: -787.295501
where:
bonds (distance) C4'-P energy: -146.200
bonds (distance) P-C4' energy: -178.769
flat angles C4'-P-C4' energy: -168.100
flat angles P-C4'-P energy: -122.954
tors. eta vs tors. theta energy: -171.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -2174.549591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2174.549591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.549591 (E_RNA)
where:
Base-Base interactions energy: -1395.220
where: short stacking energy: -639.171
Base-Backbone interact. energy: -1.238
local terms energy: -778.090997
where:
bonds (distance) C4'-P energy: -156.423
bonds (distance) P-C4' energy: -160.384
flat angles C4'-P-C4' energy: -179.978
flat angles P-C4'-P energy: -108.311
tors. eta vs tors. theta energy: -172.995
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: 1
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -1838.809180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.809180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.809180 (E_RNA)
where:
Base-Base interactions energy: -1124.164
where: short stacking energy: -532.373
Base-Backbone interact. energy: 0.885
local terms energy: -715.530254
where:
bonds (distance) C4'-P energy: -161.527
bonds (distance) P-C4' energy: -174.466
flat angles C4'-P-C4' energy: -144.116
flat angles P-C4'-P energy: -118.300
tors. eta vs tors. theta energy: -117.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -1795.226696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.226696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.226696 (E_RNA)
where:
Base-Base interactions energy: -1082.814
where: short stacking energy: -510.060
Base-Backbone interact. energy: -1.487
local terms energy: -710.925561
where:
bonds (distance) C4'-P energy: -152.830
bonds (distance) P-C4' energy: -166.444
flat angles C4'-P-C4' energy: -139.215
flat angles P-C4'-P energy: -117.682
tors. eta vs tors. theta energy: -134.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -1303.622595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.622595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.622595 (E_RNA)
where:
Base-Base interactions energy: -731.776
where: short stacking energy: -370.582
Base-Backbone interact. energy: -3.887
local terms energy: -567.960369
where:
bonds (distance) C4'-P energy: -131.064
bonds (distance) P-C4' energy: -173.469
flat angles C4'-P-C4' energy: -135.684
flat angles P-C4'-P energy: -76.382
tors. eta vs tors. theta energy: -51.361
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: 8
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -1071.726169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.726169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.726169 (E_RNA)
where:
Base-Base interactions energy: -551.290
where: short stacking energy: -300.894
Base-Backbone interact. energy: -0.773
local terms energy: -519.662971
where:
bonds (distance) C4'-P energy: -153.525
bonds (distance) P-C4' energy: -151.836
flat angles C4'-P-C4' energy: -135.865
flat angles P-C4'-P energy: -73.907
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: 9, replica: 9
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -798.589727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.589727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.589727 (E_RNA)
where:
Base-Base interactions energy: -327.897
where: short stacking energy: -218.547
Base-Backbone interact. energy: 6.465
local terms energy: -477.157979
where:
bonds (distance) C4'-P energy: -156.954
bonds (distance) P-C4' energy: -127.955
flat angles C4'-P-C4' energy: -129.863
flat angles P-C4'-P energy: -66.841
tors. eta vs tors. theta energy: 4.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -672.354277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.354277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.354277 (E_RNA)
where:
Base-Base interactions energy: -255.981
where: short stacking energy: -184.449
Base-Backbone interact. energy: -1.327
local terms energy: -415.046005
where:
bonds (distance) C4'-P energy: -129.487
bonds (distance) P-C4' energy: -148.078
flat angles C4'-P-C4' energy: -121.840
flat angles P-C4'-P energy: -54.004
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: 1, replica: 3
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -2702.754927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2702.754927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2702.754927 (E_RNA)
where:
Base-Base interactions energy: -1774.047
where: short stacking energy: -780.293
Base-Backbone interact. energy: -5.130
local terms energy: -923.577826
where:
bonds (distance) C4'-P energy: -179.443
bonds (distance) P-C4' energy: -189.954
flat angles C4'-P-C4' energy: -215.090
flat angles P-C4'-P energy: -115.531
tors. eta vs tors. theta energy: -223.561
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: 10
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -2512.625953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2512.625953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2512.625953 (E_RNA)
where:
Base-Base interactions energy: -1666.707
where: short stacking energy: -763.263
Base-Backbone interact. energy: -0.966
local terms energy: -844.952849
where:
bonds (distance) C4'-P energy: -164.221
bonds (distance) P-C4' energy: -153.962
flat angles C4'-P-C4' energy: -193.927
flat angles P-C4'-P energy: -124.683
tors. eta vs tors. theta energy: -208.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -2323.645570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2323.645570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2323.645570 (E_RNA)
where:
Base-Base interactions energy: -1499.051
where: short stacking energy: -706.546
Base-Backbone interact. energy: -2.745
local terms energy: -821.850279
where:
bonds (distance) C4'-P energy: -169.225
bonds (distance) P-C4' energy: -170.451
flat angles C4'-P-C4' energy: -191.884
flat angles P-C4'-P energy: -115.922
tors. eta vs tors. theta energy: -174.369
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: 62
Temperature: 1.050000
Total energy: -2164.743580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.743580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.743580 (E_RNA)
where:
Base-Base interactions energy: -1427.094
where: short stacking energy: -625.737
Base-Backbone interact. energy: -1.751
local terms energy: -735.898722
where:
bonds (distance) C4'-P energy: -159.956
bonds (distance) P-C4' energy: -146.186
flat angles C4'-P-C4' energy: -163.449
flat angles P-C4'-P energy: -91.022
tors. eta vs tors. theta energy: -175.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -1903.502114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.502114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.502114 (E_RNA)
where:
Base-Base interactions energy: -1177.228
where: short stacking energy: -558.202
Base-Backbone interact. energy: -1.550
local terms energy: -724.723986
where:
bonds (distance) C4'-P energy: -157.670
bonds (distance) P-C4' energy: -164.513
flat angles C4'-P-C4' energy: -154.194
flat angles P-C4'-P energy: -107.248
tors. eta vs tors. theta energy: -141.099
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: 1
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -1702.286077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.286077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.286077 (E_RNA)
where:
Base-Base interactions energy: -1042.302
where: short stacking energy: -477.615
Base-Backbone interact. energy: -0.161
local terms energy: -659.823393
where:
bonds (distance) C4'-P energy: -157.972
bonds (distance) P-C4' energy: -167.134
flat angles C4'-P-C4' energy: -161.462
flat angles P-C4'-P energy: -86.699
tors. eta vs tors. theta energy: -86.556
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: 7, replica: 2
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -1233.192228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.192228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.192228 (E_RNA)
where:
Base-Base interactions energy: -631.407
where: short stacking energy: -323.288
Base-Backbone interact. energy: 0.466
local terms energy: -602.250950
where:
bonds (distance) C4'-P energy: -164.364
bonds (distance) P-C4' energy: -148.564
flat angles C4'-P-C4' energy: -155.294
flat angles P-C4'-P energy: -87.941
tors. eta vs tors. theta energy: -46.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -1108.761239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.761239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.761239 (E_RNA)
where:
Base-Base interactions energy: -554.917
where: short stacking energy: -338.009
Base-Backbone interact. energy: 1.167
local terms energy: -555.011205
where:
bonds (distance) C4'-P energy: -158.455
bonds (distance) P-C4' energy: -142.670
flat angles C4'-P-C4' energy: -146.439
flat angles P-C4'-P energy: -68.790
tors. eta vs tors. theta energy: -38.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -721.560305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.560305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.560305 (E_RNA)
where:
Base-Base interactions energy: -274.316
where: short stacking energy: -197.584
Base-Backbone interact. energy: 5.123
local terms energy: -452.366871
where:
bonds (distance) C4'-P energy: -141.859
bonds (distance) P-C4' energy: -163.872
flat angles C4'-P-C4' energy: -115.492
flat angles P-C4'-P energy: -66.851
tors. eta vs tors. theta energy: 35.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -763.914967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.914967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.914967 (E_RNA)
where:
Base-Base interactions energy: -323.951
where: short stacking energy: -222.656
Base-Backbone interact. energy: 1.543
local terms energy: -441.507065
where:
bonds (distance) C4'-P energy: -127.942
bonds (distance) P-C4' energy: -151.620
flat angles C4'-P-C4' energy: -118.803
flat angles P-C4'-P energy: -60.051
tors. eta vs tors. theta energy: 16.909
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: 3
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -2721.873893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2721.873893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2721.873893 (E_RNA)
where:
Base-Base interactions energy: -1818.980
where: short stacking energy: -783.060
Base-Backbone interact. energy: -6.193
local terms energy: -896.700640
where:
bonds (distance) C4'-P energy: -186.138
bonds (distance) P-C4' energy: -163.783
flat angles C4'-P-C4' energy: -196.081
flat angles P-C4'-P energy: -130.233
tors. eta vs tors. theta energy: -220.465
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: 10
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -2553.599289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2553.599289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2553.599289 (E_RNA)
where:
Base-Base interactions energy: -1681.933
where: short stacking energy: -749.513
Base-Backbone interact. energy: -4.263
local terms energy: -867.403416
where:
bonds (distance) C4'-P energy: -163.747
bonds (distance) P-C4' energy: -176.835
flat angles C4'-P-C4' energy: -191.099
flat angles P-C4'-P energy: -124.945
tors. eta vs tors. theta energy: -210.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -2370.420649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2370.420649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2370.420649 (E_RNA)
where:
Base-Base interactions energy: -1533.344
where: short stacking energy: -684.631
Base-Backbone interact. energy: -2.290
local terms energy: -834.786525
where:
bonds (distance) C4'-P energy: -168.777
bonds (distance) P-C4' energy: -175.150
flat angles C4'-P-C4' energy: -183.375
flat angles P-C4'-P energy: -121.415
tors. eta vs tors. theta energy: -186.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -2184.955241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2184.955241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.955241 (E_RNA)
where:
Base-Base interactions energy: -1376.949
where: short stacking energy: -678.314
Base-Backbone interact. energy: -0.224
local terms energy: -807.782618
where:
bonds (distance) C4'-P energy: -173.401
bonds (distance) P-C4' energy: -171.128
flat angles C4'-P-C4' energy: -171.715
flat angles P-C4'-P energy: -109.307
tors. eta vs tors. theta energy: -182.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -1968.195909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.195909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.195909 (E_RNA)
where:
Base-Base interactions energy: -1205.793
where: short stacking energy: -551.485
Base-Backbone interact. energy: -1.760
local terms energy: -760.642906
where:
bonds (distance) C4'-P energy: -158.310
bonds (distance) P-C4' energy: -181.421
flat angles C4'-P-C4' energy: -183.530
flat angles P-C4'-P energy: -97.385
tors. eta vs tors. theta energy: -139.997
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: 6, replica: 1
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -1693.731547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.731547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.731547 (E_RNA)
where:
Base-Base interactions energy: -1026.257
where: short stacking energy: -497.824
Base-Backbone interact. energy: -0.734
local terms energy: -666.740983
where:
bonds (distance) C4'-P energy: -141.707
bonds (distance) P-C4' energy: -164.006
flat angles C4'-P-C4' energy: -169.016
flat angles P-C4'-P energy: -98.481
tors. eta vs tors. theta energy: -93.532
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: 2
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -1194.147845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.147845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.147845 (E_RNA)
where:
Base-Base interactions energy: -615.845
where: short stacking energy: -351.443
Base-Backbone interact. energy: -1.819
local terms energy: -576.483910
where:
bonds (distance) C4'-P energy: -157.102
bonds (distance) P-C4' energy: -150.532
flat angles C4'-P-C4' energy: -139.056
flat angles P-C4'-P energy: -82.011
tors. eta vs tors. theta energy: -47.783
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: 8
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -1072.469063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.469063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.469063 (E_RNA)
where:
Base-Base interactions energy: -538.743
where: short stacking energy: -305.406
Base-Backbone interact. energy: -2.965
local terms energy: -530.760725
where:
bonds (distance) C4'-P energy: -153.167
bonds (distance) P-C4' energy: -144.842
flat angles C4'-P-C4' energy: -128.646
flat angles P-C4'-P energy: -87.745
tors. eta vs tors. theta energy: -16.360
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: 9, replica: 4
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -734.795482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.795482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.795482 (E_RNA)
where:
Base-Base interactions energy: -305.202
where: short stacking energy: -185.644
Base-Backbone interact. energy: -1.957
local terms energy: -427.636868
where:
bonds (distance) C4'-P energy: -135.448
bonds (distance) P-C4' energy: -129.308
flat angles C4'-P-C4' energy: -133.286
flat angles P-C4'-P energy: -65.711
tors. eta vs tors. theta energy: 36.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -702.405894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.405894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.405894 (E_RNA)
where:
Base-Base interactions energy: -265.753
where: short stacking energy: -173.414
Base-Backbone interact. energy: -2.035
local terms energy: -434.618201
where:
bonds (distance) C4'-P energy: -140.498
bonds (distance) P-C4' energy: -145.945
flat angles C4'-P-C4' energy: -116.507
flat angles P-C4'-P energy: -67.806
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: 1, replica: 3
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -2726.498296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2726.498296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2726.498296 (E_RNA)
where:
Base-Base interactions energy: -1833.930
where: short stacking energy: -786.085
Base-Backbone interact. energy: -2.659
local terms energy: -889.909840
where:
bonds (distance) C4'-P energy: -178.987
bonds (distance) P-C4' energy: -188.093
flat angles C4'-P-C4' energy: -185.540
flat angles P-C4'-P energy: -126.176
tors. eta vs tors. theta energy: -211.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -2548.604775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2548.604775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2548.604775 (E_RNA)
where:
Base-Base interactions energy: -1649.023
where: short stacking energy: -761.945
Base-Backbone interact. energy: -5.777
local terms energy: -893.804893
where:
bonds (distance) C4'-P energy: -173.348
bonds (distance) P-C4' energy: -167.148
flat angles C4'-P-C4' energy: -206.136
flat angles P-C4'-P energy: -115.338
tors. eta vs tors. theta energy: -231.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -2410.519494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2410.519494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2410.519494 (E_RNA)
where:
Base-Base interactions energy: -1556.002
where: short stacking energy: -680.661
Base-Backbone interact. energy: -2.110
local terms energy: -852.408270
where:
bonds (distance) C4'-P energy: -178.713
bonds (distance) P-C4' energy: -175.219
flat angles C4'-P-C4' energy: -170.462
flat angles P-C4'-P energy: -131.811
tors. eta vs tors. theta energy: -196.203
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: 5
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -2127.868489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2127.868489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.868489 (E_RNA)
where:
Base-Base interactions energy: -1375.912
where: short stacking energy: -622.309
Base-Backbone interact. energy: -3.375
local terms energy: -748.581107
where:
bonds (distance) C4'-P energy: -158.906
bonds (distance) P-C4' energy: -169.529
flat angles C4'-P-C4' energy: -173.110
flat angles P-C4'-P energy: -100.264
tors. eta vs tors. theta energy: -146.771
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: 7
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -1871.080204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.080204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.080204 (E_RNA)
where:
Base-Base interactions energy: -1149.251
where: short stacking energy: -535.013
Base-Backbone interact. energy: 8.069
local terms energy: -729.897676
where:
bonds (distance) C4'-P energy: -169.687
bonds (distance) P-C4' energy: -155.681
flat angles C4'-P-C4' energy: -155.299
flat angles P-C4'-P energy: -110.633
tors. eta vs tors. theta energy: -138.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -1710.130805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.130805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.130805 (E_RNA)
where:
Base-Base interactions energy: -1059.965
where: short stacking energy: -473.344
Base-Backbone interact. energy: 8.311
local terms energy: -658.476400
where:
bonds (distance) C4'-P energy: -153.665
bonds (distance) P-C4' energy: -160.332
flat angles C4'-P-C4' energy: -150.130
flat angles P-C4'-P energy: -102.440
tors. eta vs tors. theta energy: -91.909
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: 8
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -1108.998314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.998314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.998314 (E_RNA)
where:
Base-Base interactions energy: -557.886
where: short stacking energy: -327.130
Base-Backbone interact. energy: 2.565
local terms energy: -553.677349
where:
bonds (distance) C4'-P energy: -152.775
bonds (distance) P-C4' energy: -179.497
flat angles C4'-P-C4' energy: -139.624
flat angles P-C4'-P energy: -74.872
tors. eta vs tors. theta energy: -6.910
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: 2
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -1068.853716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.853716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.853716 (E_RNA)
where:
Base-Base interactions energy: -514.012
where: short stacking energy: -317.439
Base-Backbone interact. energy: 0.098
local terms energy: -554.940536
where:
bonds (distance) C4'-P energy: -134.702
bonds (distance) P-C4' energy: -167.006
flat angles C4'-P-C4' energy: -152.150
flat angles P-C4'-P energy: -77.375
tors. eta vs tors. theta energy: -23.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -757.944981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.944981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.944981 (E_RNA)
where:
Base-Base interactions energy: -279.167
where: short stacking energy: -216.442
Base-Backbone interact. energy: 6.348
local terms energy: -485.125541
where:
bonds (distance) C4'-P energy: -138.471
bonds (distance) P-C4' energy: -168.872
flat angles C4'-P-C4' energy: -132.377
flat angles P-C4'-P energy: -63.039
tors. eta vs tors. theta energy: 17.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -715.773759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.773759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.773759 (E_RNA)
where:
Base-Base interactions energy: -283.845
where: short stacking energy: -202.712
Base-Backbone interact. energy: -2.202
local terms energy: -429.726810
where:
bonds (distance) C4'-P energy: -113.827
bonds (distance) P-C4' energy: -159.331
flat angles C4'-P-C4' energy: -112.889
flat angles P-C4'-P energy: -88.142
tors. eta vs tors. theta energy: 44.461
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: 1, replica: 3
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -2691.108981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2691.108981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2691.108981 (E_RNA)
where:
Base-Base interactions energy: -1805.971
where: short stacking energy: -765.713
Base-Backbone interact. energy: -5.869
local terms energy: -879.467163
where:
bonds (distance) C4'-P energy: -177.437
bonds (distance) P-C4' energy: -172.026
flat angles C4'-P-C4' energy: -188.719
flat angles P-C4'-P energy: -124.680
tors. eta vs tors. theta energy: -216.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.198 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -2552.999482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2552.999482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2552.999482 (E_RNA)
where:
Base-Base interactions energy: -1680.461
where: short stacking energy: -752.830
Base-Backbone interact. energy: -2.249
local terms energy: -870.289859
where:
bonds (distance) C4'-P energy: -161.714
bonds (distance) P-C4' energy: -168.279
flat angles C4'-P-C4' energy: -194.255
flat angles P-C4'-P energy: -127.810
tors. eta vs tors. theta energy: -218.231
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: 3, replica: 6
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -2338.529182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.529182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2338.529182 (E_RNA)
where:
Base-Base interactions energy: -1518.638
where: short stacking energy: -671.680
Base-Backbone interact. energy: -0.210
local terms energy: -819.681317
where:
bonds (distance) C4'-P energy: -155.591
bonds (distance) P-C4' energy: -175.324
flat angles C4'-P-C4' energy: -188.004
flat angles P-C4'-P energy: -113.838
tors. eta vs tors. theta energy: -186.925
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: 4, replica: 5
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -2089.248469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.248469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2089.248469 (E_RNA)
where:
Base-Base interactions energy: -1340.561
where: short stacking energy: -606.994
Base-Backbone interact. energy: 1.375
local terms energy: -750.061956
where:
bonds (distance) C4'-P energy: -150.201
bonds (distance) P-C4' energy: -169.430
flat angles C4'-P-C4' energy: -167.801
flat angles P-C4'-P energy: -102.803
tors. eta vs tors. theta energy: -159.827
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: 65
Temperature: 1.100000
Total energy: -1903.240510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.240510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.240510 (E_RNA)
where:
Base-Base interactions energy: -1138.535
where: short stacking energy: -519.924
Base-Backbone interact. energy: -0.244
local terms energy: -764.461782
where:
bonds (distance) C4'-P energy: -175.022
bonds (distance) P-C4' energy: -169.878
flat angles C4'-P-C4' energy: -186.839
flat angles P-C4'-P energy: -102.840
tors. eta vs tors. theta energy: -129.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -1697.829801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.829801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.829801 (E_RNA)
where:
Base-Base interactions energy: -1032.214
where: short stacking energy: -478.441
Base-Backbone interact. energy: -3.427
local terms energy: -662.189431
where:
bonds (distance) C4'-P energy: -142.002
bonds (distance) P-C4' energy: -155.584
flat angles C4'-P-C4' energy: -161.888
flat angles P-C4'-P energy: -104.090
tors. eta vs tors. theta energy: -98.626
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: 8
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -1215.175256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.175256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.175256 (E_RNA)
where:
Base-Base interactions energy: -606.569
where: short stacking energy: -346.234
Base-Backbone interact. energy: 0.108
local terms energy: -608.714739
where:
bonds (distance) C4'-P energy: -173.375
bonds (distance) P-C4' energy: -154.082
flat angles C4'-P-C4' energy: -147.481
flat angles P-C4'-P energy: -81.212
tors. eta vs tors. theta energy: -52.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -1091.957562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.957562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.957562 (E_RNA)
where:
Base-Base interactions energy: -556.241
where: short stacking energy: -334.919
Base-Backbone interact. energy: 1.737
local terms energy: -537.453450
where:
bonds (distance) C4'-P energy: -140.984
bonds (distance) P-C4' energy: -147.841
flat angles C4'-P-C4' energy: -116.192
flat angles P-C4'-P energy: -98.179
tors. eta vs tors. theta energy: -34.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -781.652961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.652961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.652961 (E_RNA)
where:
Base-Base interactions energy: -304.212
where: short stacking energy: -219.329
Base-Backbone interact. energy: 2.767
local terms energy: -480.207545
where:
bonds (distance) C4'-P energy: -170.209
bonds (distance) P-C4' energy: -157.948
flat angles C4'-P-C4' energy: -133.977
flat angles P-C4'-P energy: -54.716
tors. eta vs tors. theta energy: 36.642
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: 4
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -722.634873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.634873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.634873 (E_RNA)
where:
Base-Base interactions energy: -240.399
where: short stacking energy: -173.968
Base-Backbone interact. energy: 2.845
local terms energy: -485.080991
where:
bonds (distance) C4'-P energy: -153.708
bonds (distance) P-C4' energy: -181.983
flat angles C4'-P-C4' energy: -115.561
flat angles P-C4'-P energy: -72.148
tors. eta vs tors. theta energy: 38.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -2768.199156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2768.199156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2768.199156 (E_RNA)
where:
Base-Base interactions energy: -1903.074
where: short stacking energy: -801.355
Base-Backbone interact. energy: -5.058
local terms energy: -860.107145
where:
bonds (distance) C4'-P energy: -158.749
bonds (distance) P-C4' energy: -175.522
flat angles C4'-P-C4' energy: -188.422
flat angles P-C4'-P energy: -129.926
tors. eta vs tors. theta energy: -207.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.040 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -2551.052358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2551.052358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2551.052358 (E_RNA)
where:
Base-Base interactions energy: -1673.488
where: short stacking energy: -754.874
Base-Backbone interact. energy: -1.265
local terms energy: -876.299766
where:
bonds (distance) C4'-P energy: -178.807
bonds (distance) P-C4' energy: -160.348
flat angles C4'-P-C4' energy: -191.848
flat angles P-C4'-P energy: -125.102
tors. eta vs tors. theta energy: -220.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -2375.373971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2375.373971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2375.373971 (E_RNA)
where:
Base-Base interactions energy: -1548.478
where: short stacking energy: -692.987
Base-Backbone interact. energy: -1.999
local terms energy: -824.896976
where:
bonds (distance) C4'-P energy: -169.880
bonds (distance) P-C4' energy: -178.422
flat angles C4'-P-C4' energy: -195.080
flat angles P-C4'-P energy: -101.103
tors. eta vs tors. theta energy: -180.411
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: 5
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -2105.844098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.844098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.844098 (E_RNA)
where:
Base-Base interactions energy: -1369.459
where: short stacking energy: -619.125
Base-Backbone interact. energy: -3.819
local terms energy: -732.565894
where:
bonds (distance) C4'-P energy: -162.248
bonds (distance) P-C4' energy: -141.453
flat angles C4'-P-C4' energy: -165.379
flat angles P-C4'-P energy: -110.059
tors. eta vs tors. theta energy: -153.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -1970.160311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.160311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.160311 (E_RNA)
where:
Base-Base interactions energy: -1218.317
where: short stacking energy: -566.866
Base-Backbone interact. energy: 3.083
local terms energy: -754.926461
where:
bonds (distance) C4'-P energy: -153.332
bonds (distance) P-C4' energy: -151.569
flat angles C4'-P-C4' energy: -175.539
flat angles P-C4'-P energy: -119.710
tors. eta vs tors. theta energy: -154.778
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: 1
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -1711.313076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.313076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.313076 (E_RNA)
where:
Base-Base interactions energy: -1014.655
where: short stacking energy: -484.031
Base-Backbone interact. energy: -1.642
local terms energy: -695.015693
where:
bonds (distance) C4'-P energy: -152.911
bonds (distance) P-C4' energy: -164.672
flat angles C4'-P-C4' energy: -171.490
flat angles P-C4'-P energy: -125.448
tors. eta vs tors. theta energy: -80.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -1224.672638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.672638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.672638 (E_RNA)
where:
Base-Base interactions energy: -677.569
where: short stacking energy: -365.397
Base-Backbone interact. energy: 3.237
local terms energy: -550.340442
where:
bonds (distance) C4'-P energy: -153.000
bonds (distance) P-C4' energy: -153.965
flat angles C4'-P-C4' energy: -132.620
flat angles P-C4'-P energy: -91.401
tors. eta vs tors. theta energy: -19.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -1088.083411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.083411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.083411 (E_RNA)
where:
Base-Base interactions energy: -553.895
where: short stacking energy: -322.063
Base-Backbone interact. energy: -2.009
local terms energy: -532.179259
where:
bonds (distance) C4'-P energy: -158.034
bonds (distance) P-C4' energy: -155.728
flat angles C4'-P-C4' energy: -137.199
flat angles P-C4'-P energy: -87.401
tors. eta vs tors. theta energy: 6.183
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: 4
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -760.373343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.373343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.373343 (E_RNA)
where:
Base-Base interactions energy: -276.313
where: short stacking energy: -209.064
Base-Backbone interact. energy: -3.655
local terms energy: -480.405250
where:
bonds (distance) C4'-P energy: -152.270
bonds (distance) P-C4' energy: -165.727
flat angles C4'-P-C4' energy: -137.720
flat angles P-C4'-P energy: -62.959
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: 10, replica: 9
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -625.513720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.513720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.513720 (E_RNA)
where:
Base-Base interactions energy: -230.495
where: short stacking energy: -157.862
Base-Backbone interact. energy: -0.463
local terms energy: -394.555234
where:
bonds (distance) C4'-P energy: -138.114
bonds (distance) P-C4' energy: -130.380
flat angles C4'-P-C4' energy: -113.948
flat angles P-C4'-P energy: -62.267
tors. eta vs tors. theta energy: 50.154
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: 1, replica: 3
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -2760.441792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2760.441792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2760.441792 (E_RNA)
where:
Base-Base interactions energy: -1846.377
where: short stacking energy: -817.646
Base-Backbone interact. energy: -0.139
local terms energy: -913.926265
where:
bonds (distance) C4'-P energy: -180.762
bonds (distance) P-C4' energy: -170.188
flat angles C4'-P-C4' energy: -194.263
flat angles P-C4'-P energy: -143.234
tors. eta vs tors. theta energy: -225.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -2587.973088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2587.973088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2587.973088 (E_RNA)
where:
Base-Base interactions energy: -1710.274
where: short stacking energy: -782.952
Base-Backbone interact. energy: -0.984
local terms energy: -876.715196
where:
bonds (distance) C4'-P energy: -174.272
bonds (distance) P-C4' energy: -177.369
flat angles C4'-P-C4' energy: -173.817
flat angles P-C4'-P energy: -123.436
tors. eta vs tors. theta energy: -227.820
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: 3, replica: 6
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -2336.763801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2336.763801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2336.763801 (E_RNA)
where:
Base-Base interactions energy: -1507.840
where: short stacking energy: -670.477
Base-Backbone interact. energy: -3.474
local terms energy: -825.449984
where:
bonds (distance) C4'-P energy: -171.611
bonds (distance) P-C4' energy: -187.823
flat angles C4'-P-C4' energy: -179.885
flat angles P-C4'-P energy: -110.367
tors. eta vs tors. theta energy: -175.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -2203.448552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.448552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.448552 (E_RNA)
where:
Base-Base interactions energy: -1434.407
where: short stacking energy: -616.073
Base-Backbone interact. energy: -0.172
local terms energy: -768.870115
where:
bonds (distance) C4'-P energy: -158.513
bonds (distance) P-C4' energy: -153.089
flat angles C4'-P-C4' energy: -178.277
flat angles P-C4'-P energy: -114.512
tors. eta vs tors. theta energy: -164.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -2024.823607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.823607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.823607 (E_RNA)
where:
Base-Base interactions energy: -1270.897
where: short stacking energy: -610.423
Base-Backbone interact. energy: 4.208
local terms energy: -758.134003
where:
bonds (distance) C4'-P energy: -149.600
bonds (distance) P-C4' energy: -163.340
flat angles C4'-P-C4' energy: -178.554
flat angles P-C4'-P energy: -106.417
tors. eta vs tors. theta energy: -160.223
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: 1
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -1632.082997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.082997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.082997 (E_RNA)
where:
Base-Base interactions energy: -957.363
where: short stacking energy: -464.247
Base-Backbone interact. energy: -2.483
local terms energy: -672.237065
where:
bonds (distance) C4'-P energy: -148.104
bonds (distance) P-C4' energy: -165.103
flat angles C4'-P-C4' energy: -157.331
flat angles P-C4'-P energy: -97.277
tors. eta vs tors. theta energy: -104.422
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: 8
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -1217.710126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.710126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.710126 (E_RNA)
where:
Base-Base interactions energy: -642.798
where: short stacking energy: -359.360
Base-Backbone interact. energy: 2.786
local terms energy: -577.698243
where:
bonds (distance) C4'-P energy: -151.591
bonds (distance) P-C4' energy: -148.556
flat angles C4'-P-C4' energy: -127.131
flat angles P-C4'-P energy: -89.514
tors. eta vs tors. theta energy: -60.907
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: 2
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -1074.656707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.656707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.656707 (E_RNA)
where:
Base-Base interactions energy: -550.199
where: short stacking energy: -311.274
Base-Backbone interact. energy: 1.983
local terms energy: -526.440340
where:
bonds (distance) C4'-P energy: -141.701
bonds (distance) P-C4' energy: -160.166
flat angles C4'-P-C4' energy: -134.849
flat angles P-C4'-P energy: -92.148
tors. eta vs tors. theta energy: 2.422
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: 4
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -770.706841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.706841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.706841 (E_RNA)
where:
Base-Base interactions energy: -326.153
where: short stacking energy: -218.966
Base-Backbone interact. energy: -0.809
local terms energy: -443.745152
where:
bonds (distance) C4'-P energy: -157.769
bonds (distance) P-C4' energy: -155.874
flat angles C4'-P-C4' energy: -105.131
flat angles P-C4'-P energy: -40.392
tors. eta vs tors. theta energy: 15.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -682.286791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.286791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.286791 (E_RNA)
where:
Base-Base interactions energy: -239.739
where: short stacking energy: -160.402
Base-Backbone interact. energy: -0.263
local terms energy: -442.284947
where:
bonds (distance) C4'-P energy: -137.960
bonds (distance) P-C4' energy: -165.299
flat angles C4'-P-C4' energy: -114.935
flat angles P-C4'-P energy: -72.350
tors. eta vs tors. theta energy: 48.260
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: 68
Temperature: 0.900000
Total energy: -2781.180421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2781.180421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2781.180421 (E_RNA)
where:
Base-Base interactions energy: -1885.642
where: short stacking energy: -797.048
Base-Backbone interact. energy: 0.725
local terms energy: -896.262742
where:
bonds (distance) C4'-P energy: -160.928
bonds (distance) P-C4' energy: -176.344
flat angles C4'-P-C4' energy: -205.653
flat angles P-C4'-P energy: -137.710
tors. eta vs tors. theta energy: -215.627
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: 2, replica: 10
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -2583.023351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2583.023351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.023351 (E_RNA)
where:
Base-Base interactions energy: -1678.269
where: short stacking energy: -769.135
Base-Backbone interact. energy: -3.697
local terms energy: -901.057291
where:
bonds (distance) C4'-P energy: -153.829
bonds (distance) P-C4' energy: -189.373
flat angles C4'-P-C4' energy: -203.327
flat angles P-C4'-P energy: -131.616
tors. eta vs tors. theta energy: -222.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -2380.367360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.367360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2380.367360 (E_RNA)
where:
Base-Base interactions energy: -1540.227
where: short stacking energy: -665.999
Base-Backbone interact. energy: -0.466
local terms energy: -839.674522
where:
bonds (distance) C4'-P energy: -169.945
bonds (distance) P-C4' energy: -175.328
flat angles C4'-P-C4' energy: -174.722
flat angles P-C4'-P energy: -127.110
tors. eta vs tors. theta energy: -192.569
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: 5
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -2258.629356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2258.629356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2258.629356 (E_RNA)
where:
Base-Base interactions energy: -1462.379
where: short stacking energy: -665.131
Base-Backbone interact. energy: -2.995
local terms energy: -793.254792
where:
bonds (distance) C4'-P energy: -165.226
bonds (distance) P-C4' energy: -174.823
flat angles C4'-P-C4' energy: -181.282
flat angles P-C4'-P energy: -112.139
tors. eta vs tors. theta energy: -159.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -2045.699743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2045.699743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2045.699743 (E_RNA)
where:
Base-Base interactions energy: -1306.862
where: short stacking energy: -583.743
Base-Backbone interact. energy: -2.144
local terms energy: -736.693531
where:
bonds (distance) C4'-P energy: -130.877
bonds (distance) P-C4' energy: -169.527
flat angles C4'-P-C4' energy: -156.687
flat angles P-C4'-P energy: -122.531
tors. eta vs tors. theta energy: -157.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -1695.934764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.934764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.934764 (E_RNA)
where:
Base-Base interactions energy: -1039.996
where: short stacking energy: -494.219
Base-Backbone interact. energy: -3.378
local terms energy: -652.560130
where:
bonds (distance) C4'-P energy: -146.484
bonds (distance) P-C4' energy: -150.706
flat angles C4'-P-C4' energy: -160.827
flat angles P-C4'-P energy: -88.206
tors. eta vs tors. theta energy: -106.337
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: 8
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -1223.299883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.299883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.299883 (E_RNA)
where:
Base-Base interactions energy: -653.645
where: short stacking energy: -350.924
Base-Backbone interact. energy: 1.491
local terms energy: -571.145229
where:
bonds (distance) C4'-P energy: -150.996
bonds (distance) P-C4' energy: -160.700
flat angles C4'-P-C4' energy: -146.781
flat angles P-C4'-P energy: -77.561
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: 8, replica: 2
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -1114.927072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.927072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.927072 (E_RNA)
where:
Base-Base interactions energy: -576.790
where: short stacking energy: -301.574
Base-Backbone interact. energy: -2.834
local terms energy: -535.303377
where:
bonds (distance) C4'-P energy: -169.211
bonds (distance) P-C4' energy: -151.076
flat angles C4'-P-C4' energy: -123.613
flat angles P-C4'-P energy: -74.321
tors. eta vs tors. theta energy: -17.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -752.001296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.001296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.001296 (E_RNA)
where:
Base-Base interactions energy: -233.457
where: short stacking energy: -188.167
Base-Backbone interact. energy: -2.883
local terms energy: -515.661530
where:
bonds (distance) C4'-P energy: -138.988
bonds (distance) P-C4' energy: -152.705
flat angles C4'-P-C4' energy: -157.476
flat angles P-C4'-P energy: -75.890
tors. eta vs tors. theta energy: 9.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -649.876713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.876713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.876713 (E_RNA)
where:
Base-Base interactions energy: -195.938
where: short stacking energy: -136.106
Base-Backbone interact. energy: -0.205
local terms energy: -453.733994
where:
bonds (distance) C4'-P energy: -136.429
bonds (distance) P-C4' energy: -158.507
flat angles C4'-P-C4' energy: -126.291
flat angles P-C4'-P energy: -61.324
tors. eta vs tors. theta energy: 28.816
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: 3
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -2774.214128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2774.214128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2774.214128 (E_RNA)
where:
Base-Base interactions energy: -1876.503
where: short stacking energy: -797.924
Base-Backbone interact. energy: -3.632
local terms energy: -894.078896
where:
bonds (distance) C4'-P energy: -179.287
bonds (distance) P-C4' energy: -163.629
flat angles C4'-P-C4' energy: -206.002
flat angles P-C4'-P energy: -118.874
tors. eta vs tors. theta energy: -226.287
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: 10
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -2586.171309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2586.171309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2586.171309 (E_RNA)
where:
Base-Base interactions energy: -1726.155
where: short stacking energy: -771.018
Base-Backbone interact. energy: -0.752
local terms energy: -859.263984
where:
bonds (distance) C4'-P energy: -173.053
bonds (distance) P-C4' energy: -176.169
flat angles C4'-P-C4' energy: -182.988
flat angles P-C4'-P energy: -109.392
tors. eta vs tors. theta energy: -217.662
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: 3, replica: 6
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -2383.827544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2383.827544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2383.827544 (E_RNA)
where:
Base-Base interactions energy: -1583.892
where: short stacking energy: -690.918
Base-Backbone interact. energy: -2.674
local terms energy: -797.261485
where:
bonds (distance) C4'-P energy: -160.978
bonds (distance) P-C4' energy: -158.632
flat angles C4'-P-C4' energy: -185.649
flat angles P-C4'-P energy: -107.844
tors. eta vs tors. theta energy: -184.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -2250.066734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2250.066734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.066734 (E_RNA)
where:
Base-Base interactions energy: -1467.977
where: short stacking energy: -684.734
Base-Backbone interact. energy: -4.537
local terms energy: -777.553265
where:
bonds (distance) C4'-P energy: -145.434
bonds (distance) P-C4' energy: -170.560
flat angles C4'-P-C4' energy: -171.626
flat angles P-C4'-P energy: -98.388
tors. eta vs tors. theta energy: -191.545
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: 7
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -2119.171764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.171764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2119.171764 (E_RNA)
where:
Base-Base interactions energy: -1341.473
where: short stacking energy: -625.023
Base-Backbone interact. energy: -0.026
local terms energy: -777.672400
where:
bonds (distance) C4'-P energy: -166.700
bonds (distance) P-C4' energy: -154.525
flat angles C4'-P-C4' energy: -188.190
flat angles P-C4'-P energy: -112.376
tors. eta vs tors. theta energy: -155.882
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: 6, replica: 1
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -1766.024285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.024285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.024285 (E_RNA)
where:
Base-Base interactions energy: -1093.123
where: short stacking energy: -474.412
Base-Backbone interact. energy: -0.621
local terms energy: -672.280448
where:
bonds (distance) C4'-P energy: -148.723
bonds (distance) P-C4' energy: -169.313
flat angles C4'-P-C4' energy: -150.736
flat angles P-C4'-P energy: -103.991
tors. eta vs tors. theta energy: -99.517
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: 8
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -1220.743608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.743608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.743608 (E_RNA)
where:
Base-Base interactions energy: -626.041
where: short stacking energy: -342.091
Base-Backbone interact. energy: 1.979
local terms energy: -596.681302
where:
bonds (distance) C4'-P energy: -167.196
bonds (distance) P-C4' energy: -151.789
flat angles C4'-P-C4' energy: -154.480
flat angles P-C4'-P energy: -85.030
tors. eta vs tors. theta energy: -38.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -1143.029682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.029682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.029682 (E_RNA)
where:
Base-Base interactions energy: -616.617
where: short stacking energy: -316.885
Base-Backbone interact. energy: 0.600
local terms energy: -528.824228
where:
bonds (distance) C4'-P energy: -139.037
bonds (distance) P-C4' energy: -147.656
flat angles C4'-P-C4' energy: -154.771
flat angles P-C4'-P energy: -65.847
tors. eta vs tors. theta energy: -21.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.812 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -806.739843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.739843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.739843 (E_RNA)
where:
Base-Base interactions energy: -341.002
where: short stacking energy: -218.560
Base-Backbone interact. energy: 9.042
local terms energy: -474.779962
where:
bonds (distance) C4'-P energy: -128.991
bonds (distance) P-C4' energy: -164.039
flat angles C4'-P-C4' energy: -138.014
flat angles P-C4'-P energy: -82.251
tors. eta vs tors. theta energy: 38.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -692.079814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.079814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.079814 (E_RNA)
where:
Base-Base interactions energy: -289.472
where: short stacking energy: -194.238
Base-Backbone interact. energy: 0.701
local terms energy: -403.308357
where:
bonds (distance) C4'-P energy: -146.133
bonds (distance) P-C4' energy: -136.650
flat angles C4'-P-C4' energy: -113.453
flat angles P-C4'-P energy: -45.307
tors. eta vs tors. theta energy: 38.236
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: 3
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -2826.228926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2826.228926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2826.228926 (E_RNA)
where:
Base-Base interactions energy: -1924.309
where: short stacking energy: -803.897
Base-Backbone interact. energy: -3.830
local terms energy: -898.090831
where:
bonds (distance) C4'-P energy: -187.152
bonds (distance) P-C4' energy: -177.039
flat angles C4'-P-C4' energy: -194.680
flat angles P-C4'-P energy: -122.984
tors. eta vs tors. theta energy: -216.236
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: 70
Temperature: 0.950000
Total energy: -2578.283384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2578.283384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2578.283384 (E_RNA)
where:
Base-Base interactions energy: -1689.710
where: short stacking energy: -751.906
Base-Backbone interact. energy: -3.117
local terms energy: -885.456484
where:
bonds (distance) C4'-P energy: -168.325
bonds (distance) P-C4' energy: -188.607
flat angles C4'-P-C4' energy: -193.264
flat angles P-C4'-P energy: -115.797
tors. eta vs tors. theta energy: -219.464
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: 5
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -2328.005555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2328.005555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2328.005555 (E_RNA)
where:
Base-Base interactions energy: -1483.321
where: short stacking energy: -696.389
Base-Backbone interact. energy: -3.368
local terms energy: -841.316591
where:
bonds (distance) C4'-P energy: -181.519
bonds (distance) P-C4' energy: -167.161
flat angles C4'-P-C4' energy: -180.978
flat angles P-C4'-P energy: -111.187
tors. eta vs tors. theta energy: -200.471
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: 4, replica: 6
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -2275.174851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2275.174851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2275.174851 (E_RNA)
where:
Base-Base interactions energy: -1503.314
where: short stacking energy: -668.940
Base-Backbone interact. energy: -3.369
local terms energy: -768.492017
where:
bonds (distance) C4'-P energy: -151.746
bonds (distance) P-C4' energy: -174.433
flat angles C4'-P-C4' energy: -171.402
flat angles P-C4'-P energy: -102.894
tors. eta vs tors. theta energy: -168.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -2117.278267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2117.278267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2117.278267 (E_RNA)
where:
Base-Base interactions energy: -1364.882
where: short stacking energy: -603.287
Base-Backbone interact. energy: 0.279
local terms energy: -752.675453
where:
bonds (distance) C4'-P energy: -142.410
bonds (distance) P-C4' energy: -163.944
flat angles C4'-P-C4' energy: -169.910
flat angles P-C4'-P energy: -112.258
tors. eta vs tors. theta energy: -164.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -1756.558408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.558408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.558408 (E_RNA)
where:
Base-Base interactions energy: -1109.261
where: short stacking energy: -518.888
Base-Backbone interact. energy: 7.756
local terms energy: -655.053414
where:
bonds (distance) C4'-P energy: -142.536
bonds (distance) P-C4' energy: -167.839
flat angles C4'-P-C4' energy: -156.168
flat angles P-C4'-P energy: -67.648
tors. eta vs tors. theta energy: -120.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -1246.242765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.242765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.242765 (E_RNA)
where:
Base-Base interactions energy: -664.716
where: short stacking energy: -346.239
Base-Backbone interact. energy: 0.702
local terms energy: -582.228851
where:
bonds (distance) C4'-P energy: -143.163
bonds (distance) P-C4' energy: -176.582
flat angles C4'-P-C4' energy: -138.027
flat angles P-C4'-P energy: -96.291
tors. eta vs tors. theta energy: -28.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -1185.472651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.472651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.472651 (E_RNA)
where:
Base-Base interactions energy: -604.439
where: short stacking energy: -320.334
Base-Backbone interact. energy: 2.374
local terms energy: -583.407571
where:
bonds (distance) C4'-P energy: -165.727
bonds (distance) P-C4' energy: -145.735
flat angles C4'-P-C4' energy: -145.460
flat angles P-C4'-P energy: -82.954
tors. eta vs tors. theta energy: -43.531
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: 4
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -801.379801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.379801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.379801 (E_RNA)
where:
Base-Base interactions energy: -301.797
where: short stacking energy: -242.958
Base-Backbone interact. energy: 3.404
local terms energy: -502.986822
where:
bonds (distance) C4'-P energy: -138.950
bonds (distance) P-C4' energy: -154.595
flat angles C4'-P-C4' energy: -132.195
flat angles P-C4'-P energy: -70.716
tors. eta vs tors. theta energy: -6.531
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: 10, replica: 9
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -650.434862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.434862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.434862 (E_RNA)
where:
Base-Base interactions energy: -239.703
where: short stacking energy: -187.005
Base-Backbone interact. energy: -3.101
local terms energy: -407.631375
where:
bonds (distance) C4'-P energy: -133.733
bonds (distance) P-C4' energy: -152.336
flat angles C4'-P-C4' energy: -98.427
flat angles P-C4'-P energy: -83.524
tors. eta vs tors. theta energy: 60.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -2819.293980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2819.293980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2819.293980 (E_RNA)
where:
Base-Base interactions energy: -1915.686
where: short stacking energy: -798.114
Base-Backbone interact. energy: -0.363
local terms energy: -903.738669
where:
bonds (distance) C4'-P energy: -170.021
bonds (distance) P-C4' energy: -180.339
flat angles C4'-P-C4' energy: -192.092
flat angles P-C4'-P energy: -125.600
tors. eta vs tors. theta energy: -235.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.493 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -2632.649346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2632.649346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2632.649346 (E_RNA)
where:
Base-Base interactions energy: -1749.029
where: short stacking energy: -770.731
Base-Backbone interact. energy: -1.807
local terms energy: -881.813096
where:
bonds (distance) C4'-P energy: -175.984
bonds (distance) P-C4' energy: -179.156
flat angles C4'-P-C4' energy: -199.428
flat angles P-C4'-P energy: -118.282
tors. eta vs tors. theta energy: -208.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -2359.426129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2359.426129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2359.426129 (E_RNA)
where:
Base-Base interactions energy: -1516.456
where: short stacking energy: -665.497
Base-Backbone interact. energy: -1.361
local terms energy: -841.608904
where:
bonds (distance) C4'-P energy: -179.610
bonds (distance) P-C4' energy: -169.072
flat angles C4'-P-C4' energy: -190.391
flat angles P-C4'-P energy: -107.076
tors. eta vs tors. theta energy: -195.460
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: 4, replica: 6
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -2261.261014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2261.261014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2261.261014 (E_RNA)
where:
Base-Base interactions energy: -1491.182
where: short stacking energy: -639.512
Base-Backbone interact. energy: 2.449
local terms energy: -772.527305
where:
bonds (distance) C4'-P energy: -166.850
bonds (distance) P-C4' energy: -161.654
flat angles C4'-P-C4' energy: -174.021
flat angles P-C4'-P energy: -106.468
tors. eta vs tors. theta energy: -163.535
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: 7
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -2122.218164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.218164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.218164 (E_RNA)
where:
Base-Base interactions energy: -1362.206
where: short stacking energy: -620.044
Base-Backbone interact. energy: 2.890
local terms energy: -762.902164
where:
bonds (distance) C4'-P energy: -155.715
bonds (distance) P-C4' energy: -178.507
flat angles C4'-P-C4' energy: -159.733
flat angles P-C4'-P energy: -108.735
tors. eta vs tors. theta energy: -160.212
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: 6, replica: 1
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -1811.941927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.941927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.941927 (E_RNA)
where:
Base-Base interactions energy: -1134.776
where: short stacking energy: -543.565
Base-Backbone interact. energy: 4.621
local terms energy: -681.786529
where:
bonds (distance) C4'-P energy: -149.821
bonds (distance) P-C4' energy: -137.124
flat angles C4'-P-C4' energy: -167.763
flat angles P-C4'-P energy: -116.819
tors. eta vs tors. theta energy: -110.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -1245.971006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.971006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.971006 (E_RNA)
where:
Base-Base interactions energy: -666.195
where: short stacking energy: -331.713
Base-Backbone interact. energy: 1.256
local terms energy: -581.032092
where:
bonds (distance) C4'-P energy: -135.110
bonds (distance) P-C4' energy: -155.093
flat angles C4'-P-C4' energy: -144.404
flat angles P-C4'-P energy: -109.364
tors. eta vs tors. theta energy: -37.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -1174.288755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.288755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.288755 (E_RNA)
where:
Base-Base interactions energy: -635.793
where: short stacking energy: -339.638
Base-Backbone interact. energy: -0.817
local terms energy: -537.678116
where:
bonds (distance) C4'-P energy: -153.630
bonds (distance) P-C4' energy: -148.389
flat angles C4'-P-C4' energy: -132.513
flat angles P-C4'-P energy: -70.121
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: 9, replica: 4
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -772.780461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.780461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.780461 (E_RNA)
where:
Base-Base interactions energy: -332.141
where: short stacking energy: -213.896
Base-Backbone interact. energy: -2.346
local terms energy: -438.293415
where:
bonds (distance) C4'-P energy: -133.170
bonds (distance) P-C4' energy: -139.430
flat angles C4'-P-C4' energy: -124.597
flat angles P-C4'-P energy: -59.499
tors. eta vs tors. theta energy: 18.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -670.203473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.203473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.203473 (E_RNA)
where:
Base-Base interactions energy: -260.463
where: short stacking energy: -171.180
Base-Backbone interact. energy: 8.540
local terms energy: -418.281142
where:
bonds (distance) C4'-P energy: -124.612
bonds (distance) P-C4' energy: -145.219
flat angles C4'-P-C4' energy: -113.170
flat angles P-C4'-P energy: -62.602
tors. eta vs tors. theta energy: 27.322
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: 3
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -2809.109164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2809.109164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2809.109164 (E_RNA)
where:
Base-Base interactions energy: -1906.365
where: short stacking energy: -799.273
Base-Backbone interact. energy: 0.862
local terms energy: -903.606374
where:
bonds (distance) C4'-P energy: -165.175
bonds (distance) P-C4' energy: -176.696
flat angles C4'-P-C4' energy: -194.503
flat angles P-C4'-P energy: -141.358
tors. eta vs tors. theta energy: -225.873
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: 10
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -2600.144034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2600.144034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2600.144034 (E_RNA)
where:
Base-Base interactions energy: -1722.601
where: short stacking energy: -737.374
Base-Backbone interact. energy: -4.252
local terms energy: -873.290266
where:
bonds (distance) C4'-P energy: -167.745
bonds (distance) P-C4' energy: -174.325
flat angles C4'-P-C4' energy: -197.286
flat angles P-C4'-P energy: -117.328
tors. eta vs tors. theta energy: -216.607
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: 5
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -2348.853398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2348.853398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2348.853398 (E_RNA)
where:
Base-Base interactions energy: -1515.210
where: short stacking energy: -702.952
Base-Backbone interact. energy: -4.175
local terms energy: -830.353932
where:
bonds (distance) C4'-P energy: -171.526
bonds (distance) P-C4' energy: -174.424
flat angles C4'-P-C4' energy: -188.824
flat angles P-C4'-P energy: -98.442
tors. eta vs tors. theta energy: -197.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.886 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -2203.255344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.255344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.255344 (E_RNA)
where:
Base-Base interactions energy: -1453.597
where: short stacking energy: -629.427
Base-Backbone interact. energy: 5.803
local terms energy: -755.461823
where:
bonds (distance) C4'-P energy: -173.244
bonds (distance) P-C4' energy: -157.923
flat angles C4'-P-C4' energy: -158.206
flat angles P-C4'-P energy: -114.486
tors. eta vs tors. theta energy: -151.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -2132.774934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2132.774934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.774934 (E_RNA)
where:
Base-Base interactions energy: -1347.113
where: short stacking energy: -633.511
Base-Backbone interact. energy: -1.922
local terms energy: -783.739953
where:
bonds (distance) C4'-P energy: -165.536
bonds (distance) P-C4' energy: -171.408
flat angles C4'-P-C4' energy: -179.400
flat angles P-C4'-P energy: -116.783
tors. eta vs tors. theta energy: -150.612
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: 1
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -1832.637548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.637548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.637548 (E_RNA)
where:
Base-Base interactions energy: -1116.639
where: short stacking energy: -516.106
Base-Backbone interact. energy: -2.393
local terms energy: -713.605567
where:
bonds (distance) C4'-P energy: -163.947
bonds (distance) P-C4' energy: -146.238
flat angles C4'-P-C4' energy: -173.983
flat angles P-C4'-P energy: -102.979
tors. eta vs tors. theta energy: -126.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -1237.955752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.955752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.955752 (E_RNA)
where:
Base-Base interactions energy: -640.035
where: short stacking energy: -352.985
Base-Backbone interact. energy: -1.356
local terms energy: -596.564947
where:
bonds (distance) C4'-P energy: -170.833
bonds (distance) P-C4' energy: -159.889
flat angles C4'-P-C4' energy: -136.097
flat angles P-C4'-P energy: -89.123
tors. eta vs tors. theta energy: -40.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -1194.743467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.743467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.743467 (E_RNA)
where:
Base-Base interactions energy: -657.835
where: short stacking energy: -354.641
Base-Backbone interact. energy: -2.810
local terms energy: -534.547836
where:
bonds (distance) C4'-P energy: -126.610
bonds (distance) P-C4' energy: -146.779
flat angles C4'-P-C4' energy: -127.014
flat angles P-C4'-P energy: -98.003
tors. eta vs tors. theta energy: -36.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.449 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -793.009793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.009793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.009793 (E_RNA)
where:
Base-Base interactions energy: -321.130
where: short stacking energy: -224.135
Base-Backbone interact. energy: 9.299
local terms energy: -481.178784
where:
bonds (distance) C4'-P energy: -154.992
bonds (distance) P-C4' energy: -154.370
flat angles C4'-P-C4' energy: -108.788
flat angles P-C4'-P energy: -88.738
tors. eta vs tors. theta energy: 25.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -643.434061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.434061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.434061 (E_RNA)
where:
Base-Base interactions energy: -217.651
where: short stacking energy: -157.840
Base-Backbone interact. energy: 5.702
local terms energy: -431.484453
where:
bonds (distance) C4'-P energy: -143.264
bonds (distance) P-C4' energy: -121.323
flat angles C4'-P-C4' energy: -142.067
flat angles P-C4'-P energy: -68.428
tors. eta vs tors. theta energy: 43.598
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: 3
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -2778.563930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2778.563930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2778.563930 (E_RNA)
where:
Base-Base interactions energy: -1868.721
where: short stacking energy: -772.232
Base-Backbone interact. energy: -7.296
local terms energy: -902.546859
where:
bonds (distance) C4'-P energy: -164.488
bonds (distance) P-C4' energy: -191.653
flat angles C4'-P-C4' energy: -194.144
flat angles P-C4'-P energy: -129.115
tors. eta vs tors. theta energy: -223.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -2621.093553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2621.093553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2621.093553 (E_RNA)
where:
Base-Base interactions energy: -1703.415
where: short stacking energy: -765.829
Base-Backbone interact. energy: 0.876
local terms energy: -918.554817
where:
bonds (distance) C4'-P energy: -193.129
bonds (distance) P-C4' energy: -192.598
flat angles C4'-P-C4' energy: -195.190
flat angles P-C4'-P energy: -118.240
tors. eta vs tors. theta energy: -219.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -2320.909259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2320.909259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2320.909259 (E_RNA)
where:
Base-Base interactions energy: -1490.494
where: short stacking energy: -685.437
Base-Backbone interact. energy: -4.957
local terms energy: -825.500315
where:
bonds (distance) C4'-P energy: -153.472
bonds (distance) P-C4' energy: -176.721
flat angles C4'-P-C4' energy: -180.854
flat angles P-C4'-P energy: -115.468
tors. eta vs tors. theta energy: -198.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.042 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -2330.198746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2330.198746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2330.198746 (E_RNA)
where:
Base-Base interactions energy: -1487.880
where: short stacking energy: -676.305
Base-Backbone interact. energy: -1.816
local terms energy: -840.501986
where:
bonds (distance) C4'-P energy: -170.600
bonds (distance) P-C4' energy: -167.143
flat angles C4'-P-C4' energy: -180.946
flat angles P-C4'-P energy: -123.186
tors. eta vs tors. theta energy: -198.626
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: 7
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -2080.821127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.821127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2080.821127 (E_RNA)
where:
Base-Base interactions energy: -1337.127
where: short stacking energy: -611.334
Base-Backbone interact. energy: -1.081
local terms energy: -742.612567
where:
bonds (distance) C4'-P energy: -141.858
bonds (distance) P-C4' energy: -165.740
flat angles C4'-P-C4' energy: -168.528
flat angles P-C4'-P energy: -103.738
tors. eta vs tors. theta energy: -162.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -1762.400356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.400356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.400356 (E_RNA)
where:
Base-Base interactions energy: -1104.394
where: short stacking energy: -500.710
Base-Backbone interact. energy: -0.557
local terms energy: -657.449829
where:
bonds (distance) C4'-P energy: -147.749
bonds (distance) P-C4' energy: -150.670
flat angles C4'-P-C4' energy: -162.567
flat angles P-C4'-P energy: -94.268
tors. eta vs tors. theta energy: -102.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -1223.834540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.834540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.834540 (E_RNA)
where:
Base-Base interactions energy: -639.074
where: short stacking energy: -334.906
Base-Backbone interact. energy: 2.913
local terms energy: -587.673424
where:
bonds (distance) C4'-P energy: -153.707
bonds (distance) P-C4' energy: -165.966
flat angles C4'-P-C4' energy: -151.059
flat angles P-C4'-P energy: -91.140
tors. eta vs tors. theta energy: -25.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -1183.288852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.288852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.288852 (E_RNA)
where:
Base-Base interactions energy: -619.564
where: short stacking energy: -337.539
Base-Backbone interact. energy: -3.207
local terms energy: -560.517658
where:
bonds (distance) C4'-P energy: -159.590
bonds (distance) P-C4' energy: -155.783
flat angles C4'-P-C4' energy: -123.748
flat angles P-C4'-P energy: -90.900
tors. eta vs tors. theta energy: -30.496
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: 4
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -813.477794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.477794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.477794 (E_RNA)
where:
Base-Base interactions energy: -357.092
where: short stacking energy: -249.876
Base-Backbone interact. energy: 7.086
local terms energy: -463.471309
where:
bonds (distance) C4'-P energy: -126.201
bonds (distance) P-C4' energy: -169.534
flat angles C4'-P-C4' energy: -122.618
flat angles P-C4'-P energy: -65.078
tors. eta vs tors. theta energy: 19.960
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: 73
Temperature: 1.350000
Total energy: -649.287637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.287637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.287637 (E_RNA)
where:
Base-Base interactions energy: -233.639
where: short stacking energy: -189.404
Base-Backbone interact. energy: -0.989
local terms energy: -414.660211
where:
bonds (distance) C4'-P energy: -131.777
bonds (distance) P-C4' energy: -135.343
flat angles C4'-P-C4' energy: -123.588
flat angles P-C4'-P energy: -69.026
tors. eta vs tors. theta energy: 45.074
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: 74
Temperature: 0.900000
Total energy: -2750.175894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2750.175894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2750.175894 (E_RNA)
where:
Base-Base interactions energy: -1878.773
where: short stacking energy: -772.222
Base-Backbone interact. energy: -2.066
local terms energy: -869.336800
where:
bonds (distance) C4'-P energy: -172.969
bonds (distance) P-C4' energy: -184.139
flat angles C4'-P-C4' energy: -176.357
flat angles P-C4'-P energy: -124.472
tors. eta vs tors. theta energy: -211.400
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: 10
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -2622.712314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2622.712314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2622.712314 (E_RNA)
where:
Base-Base interactions energy: -1742.366
where: short stacking energy: -767.148
Base-Backbone interact. energy: -0.719
local terms energy: -879.626825
where:
bonds (distance) C4'-P energy: -180.552
bonds (distance) P-C4' energy: -160.199
flat angles C4'-P-C4' energy: -187.817
flat angles P-C4'-P energy: -131.327
tors. eta vs tors. theta energy: -219.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -2360.975249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.975249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2360.975249 (E_RNA)
where:
Base-Base interactions energy: -1521.660
where: short stacking energy: -704.059
Base-Backbone interact. energy: -0.874
local terms energy: -838.441110
where:
bonds (distance) C4'-P energy: -160.319
bonds (distance) P-C4' energy: -176.412
flat angles C4'-P-C4' energy: -181.446
flat angles P-C4'-P energy: -111.336
tors. eta vs tors. theta energy: -208.927
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: 5
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -2270.898702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2270.898702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2270.898702 (E_RNA)
where:
Base-Base interactions energy: -1494.283
where: short stacking energy: -672.612
Base-Backbone interact. energy: -4.160
local terms energy: -772.519063
where:
bonds (distance) C4'-P energy: -165.385
bonds (distance) P-C4' energy: -153.079
flat angles C4'-P-C4' energy: -167.386
flat angles P-C4'-P energy: -105.170
tors. eta vs tors. theta energy: -181.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.064 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -2114.430336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.430336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.430336 (E_RNA)
where:
Base-Base interactions energy: -1360.512
where: short stacking energy: -618.176
Base-Backbone interact. energy: -3.247
local terms energy: -750.671605
where:
bonds (distance) C4'-P energy: -151.230
bonds (distance) P-C4' energy: -160.275
flat angles C4'-P-C4' energy: -163.968
flat angles P-C4'-P energy: -111.043
tors. eta vs tors. theta energy: -164.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -1781.031379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.031379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.031379 (E_RNA)
where:
Base-Base interactions energy: -1085.090
where: short stacking energy: -490.843
Base-Backbone interact. energy: -1.658
local terms energy: -694.283331
where:
bonds (distance) C4'-P energy: -163.889
bonds (distance) P-C4' energy: -166.232
flat angles C4'-P-C4' energy: -157.279
flat angles P-C4'-P energy: -114.370
tors. eta vs tors. theta energy: -92.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -1225.605018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.605018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.605018 (E_RNA)
where:
Base-Base interactions energy: -691.851
where: short stacking energy: -359.808
Base-Backbone interact. energy: -1.731
local terms energy: -532.822767
where:
bonds (distance) C4'-P energy: -148.894
bonds (distance) P-C4' energy: -143.160
flat angles C4'-P-C4' energy: -145.186
flat angles P-C4'-P energy: -57.739
tors. eta vs tors. theta energy: -37.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.800 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -1119.529554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.529554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.529554 (E_RNA)
where:
Base-Base interactions energy: -575.070
where: short stacking energy: -308.785
Base-Backbone interact. energy: -2.538
local terms energy: -541.921818
where:
bonds (distance) C4'-P energy: -140.254
bonds (distance) P-C4' energy: -165.494
flat angles C4'-P-C4' energy: -132.934
flat angles P-C4'-P energy: -97.077
tors. eta vs tors. theta energy: -6.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -781.180802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.180802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.180802 (E_RNA)
where:
Base-Base interactions energy: -323.989
where: short stacking energy: -211.224
Base-Backbone interact. energy: 0.410
local terms energy: -457.601555
where:
bonds (distance) C4'-P energy: -129.110
bonds (distance) P-C4' energy: -155.506
flat angles C4'-P-C4' energy: -139.595
flat angles P-C4'-P energy: -62.612
tors. eta vs tors. theta energy: 29.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -646.489233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.489233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.489233 (E_RNA)
where:
Base-Base interactions energy: -251.586
where: short stacking energy: -188.881
Base-Backbone interact. energy: -2.533
local terms energy: -392.370089
where:
bonds (distance) C4'-P energy: -117.421
bonds (distance) P-C4' energy: -146.184
flat angles C4'-P-C4' energy: -122.890
flat angles P-C4'-P energy: -61.173
tors. eta vs tors. theta energy: 55.297
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: 1, replica: 3
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -2820.162155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2820.162155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2820.162155 (E_RNA)
where:
Base-Base interactions energy: -1914.049
where: short stacking energy: -805.383
Base-Backbone interact. energy: -0.986
local terms energy: -905.126638
where:
bonds (distance) C4'-P energy: -174.532
bonds (distance) P-C4' energy: -172.916
flat angles C4'-P-C4' energy: -193.424
flat angles P-C4'-P energy: -139.448
tors. eta vs tors. theta energy: -224.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -2618.799927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2618.799927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2618.799927 (E_RNA)
where:
Base-Base interactions energy: -1756.559
where: short stacking energy: -762.240
Base-Backbone interact. energy: 1.594
local terms energy: -863.834957
where:
bonds (distance) C4'-P energy: -164.804
bonds (distance) P-C4' energy: -166.998
flat angles C4'-P-C4' energy: -183.889
flat angles P-C4'-P energy: -125.477
tors. eta vs tors. theta energy: -222.667
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: 6
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -2362.786171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2362.786171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.786171 (E_RNA)
where:
Base-Base interactions energy: -1570.431
where: short stacking energy: -686.350
Base-Backbone interact. energy: 2.148
local terms energy: -794.502282
where:
bonds (distance) C4'-P energy: -168.684
bonds (distance) P-C4' energy: -159.447
flat angles C4'-P-C4' energy: -190.932
flat angles P-C4'-P energy: -106.692
tors. eta vs tors. theta energy: -168.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -2256.446233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2256.446233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.446233 (E_RNA)
where:
Base-Base interactions energy: -1504.661
where: short stacking energy: -652.476
Base-Backbone interact. energy: -0.893
local terms energy: -750.892053
where:
bonds (distance) C4'-P energy: -158.358
bonds (distance) P-C4' energy: -158.030
flat angles C4'-P-C4' energy: -153.481
flat angles P-C4'-P energy: -93.092
tors. eta vs tors. theta energy: -187.931
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: 7
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -2061.752977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.752977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.752977 (E_RNA)
where:
Base-Base interactions energy: -1325.818
where: short stacking energy: -599.650
Base-Backbone interact. energy: 6.190
local terms energy: -742.124194
where:
bonds (distance) C4'-P energy: -148.373
bonds (distance) P-C4' energy: -165.837
flat angles C4'-P-C4' energy: -174.384
flat angles P-C4'-P energy: -95.507
tors. eta vs tors. theta energy: -158.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -1745.433864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.433864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.433864 (E_RNA)
where:
Base-Base interactions energy: -1098.371
where: short stacking energy: -486.863
Base-Backbone interact. energy: -1.345
local terms energy: -645.717828
where:
bonds (distance) C4'-P energy: -155.626
bonds (distance) P-C4' energy: -146.793
flat angles C4'-P-C4' energy: -153.198
flat angles P-C4'-P energy: -78.959
tors. eta vs tors. theta energy: -111.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -1263.690692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.690692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.690692 (E_RNA)
where:
Base-Base interactions energy: -683.192
where: short stacking energy: -339.828
Base-Backbone interact. energy: 3.762
local terms energy: -584.304763
where:
bonds (distance) C4'-P energy: -152.766
bonds (distance) P-C4' energy: -150.392
flat angles C4'-P-C4' energy: -141.136
flat angles P-C4'-P energy: -97.823
tors. eta vs tors. theta energy: -42.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.044 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -1157.610525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.610525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.610525 (E_RNA)
where:
Base-Base interactions energy: -618.526
where: short stacking energy: -308.478
Base-Backbone interact. energy: -1.623
local terms energy: -537.461144
where:
bonds (distance) C4'-P energy: -130.032
bonds (distance) P-C4' energy: -146.497
flat angles C4'-P-C4' energy: -155.551
flat angles P-C4'-P energy: -79.485
tors. eta vs tors. theta energy: -25.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -897.271431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.271431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.271431 (E_RNA)
where:
Base-Base interactions energy: -427.042
where: short stacking energy: -240.905
Base-Backbone interact. energy: -1.736
local terms energy: -468.493653
where:
bonds (distance) C4'-P energy: -127.923
bonds (distance) P-C4' energy: -134.463
flat angles C4'-P-C4' energy: -148.539
flat angles P-C4'-P energy: -67.850
tors. eta vs tors. theta energy: 10.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -657.529034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.529034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.529034 (E_RNA)
where:
Base-Base interactions energy: -230.008
where: short stacking energy: -165.775
Base-Backbone interact. energy: 0.875
local terms energy: -428.396098
where:
bonds (distance) C4'-P energy: -136.221
bonds (distance) P-C4' energy: -148.563
flat angles C4'-P-C4' energy: -106.083
flat angles P-C4'-P energy: -67.388
tors. eta vs tors. theta energy: 29.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -2787.897568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2787.897568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2787.897568 (E_RNA)
where:
Base-Base interactions energy: -1911.794
where: short stacking energy: -765.878
Base-Backbone interact. energy: -3.716
local terms energy: -872.387565
where:
bonds (distance) C4'-P energy: -178.824
bonds (distance) P-C4' energy: -178.347
flat angles C4'-P-C4' energy: -186.111
flat angles P-C4'-P energy: -125.747
tors. eta vs tors. theta energy: -203.358
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: 2, replica: 10
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -2605.090505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2605.090505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2605.090505 (E_RNA)
where:
Base-Base interactions energy: -1724.761
where: short stacking energy: -770.382
Base-Backbone interact. energy: -3.307
local terms energy: -877.022460
where:
bonds (distance) C4'-P energy: -160.850
bonds (distance) P-C4' energy: -184.361
flat angles C4'-P-C4' energy: -182.675
flat angles P-C4'-P energy: -125.534
tors. eta vs tors. theta energy: -223.602
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: 3, replica: 6
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -2371.057200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2371.057200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2371.057200 (E_RNA)
where:
Base-Base interactions energy: -1568.699
where: short stacking energy: -705.597
Base-Backbone interact. energy: -2.340
local terms energy: -800.018227
where:
bonds (distance) C4'-P energy: -161.799
bonds (distance) P-C4' energy: -162.843
flat angles C4'-P-C4' energy: -185.413
flat angles P-C4'-P energy: -114.674
tors. eta vs tors. theta energy: -175.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -2297.590641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.590641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.590641 (E_RNA)
where:
Base-Base interactions energy: -1487.507
where: short stacking energy: -638.323
Base-Backbone interact. energy: -1.962
local terms energy: -808.121899
where:
bonds (distance) C4'-P energy: -159.208
bonds (distance) P-C4' energy: -161.313
flat angles C4'-P-C4' energy: -189.959
flat angles P-C4'-P energy: -106.876
tors. eta vs tors. theta energy: -190.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -2075.810295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.810295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.810295 (E_RNA)
where:
Base-Base interactions energy: -1299.624
where: short stacking energy: -607.617
Base-Backbone interact. energy: -2.033
local terms energy: -774.152700
where:
bonds (distance) C4'-P energy: -147.409
bonds (distance) P-C4' energy: -164.165
flat angles C4'-P-C4' energy: -191.178
flat angles P-C4'-P energy: -111.699
tors. eta vs tors. theta energy: -159.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -1697.602623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.602623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.602623 (E_RNA)
where:
Base-Base interactions energy: -1042.953
where: short stacking energy: -475.086
Base-Backbone interact. energy: -0.196
local terms energy: -654.453393
where:
bonds (distance) C4'-P energy: -147.168
bonds (distance) P-C4' energy: -164.935
flat angles C4'-P-C4' energy: -161.202
flat angles P-C4'-P energy: -101.215
tors. eta vs tors. theta energy: -79.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -1239.661810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.661810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.661810 (E_RNA)
where:
Base-Base interactions energy: -655.490
where: short stacking energy: -329.175
Base-Backbone interact. energy: 3.078
local terms energy: -587.249891
where:
bonds (distance) C4'-P energy: -140.607
bonds (distance) P-C4' energy: -148.689
flat angles C4'-P-C4' energy: -156.137
flat angles P-C4'-P energy: -107.194
tors. eta vs tors. theta energy: -34.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -1120.893956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.893956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.893956 (E_RNA)
where:
Base-Base interactions energy: -552.909
where: short stacking energy: -319.276
Base-Backbone interact. energy: 1.866
local terms energy: -569.851753
where:
bonds (distance) C4'-P energy: -170.206
bonds (distance) P-C4' energy: -160.981
flat angles C4'-P-C4' energy: -138.287
flat angles P-C4'-P energy: -71.528
tors. eta vs tors. theta energy: -28.851
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: 9, replica: 4
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -972.544255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.544255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.544255 (E_RNA)
where:
Base-Base interactions energy: -464.316
where: short stacking energy: -240.478
Base-Backbone interact. energy: -4.888
local terms energy: -503.340206
where:
bonds (distance) C4'-P energy: -151.145
bonds (distance) P-C4' energy: -141.823
flat angles C4'-P-C4' energy: -143.817
flat angles P-C4'-P energy: -84.361
tors. eta vs tors. theta energy: 17.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -687.793378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.793378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.793378 (E_RNA)
where:
Base-Base interactions energy: -230.710
where: short stacking energy: -189.764
Base-Backbone interact. energy: 0.386
local terms energy: -457.469060
where:
bonds (distance) C4'-P energy: -127.176
bonds (distance) P-C4' energy: -167.689
flat angles C4'-P-C4' energy: -126.624
flat angles P-C4'-P energy: -59.558
tors. eta vs tors. theta energy: 23.577
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: 3
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -2799.857523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2799.857523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2799.857523 (E_RNA)
where:
Base-Base interactions energy: -1889.284
where: short stacking energy: -806.927
Base-Backbone interact. energy: -7.393
local terms energy: -903.180526
where:
bonds (distance) C4'-P energy: -177.033
bonds (distance) P-C4' energy: -177.391
flat angles C4'-P-C4' energy: -193.363
flat angles P-C4'-P energy: -135.815
tors. eta vs tors. theta energy: -219.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -2590.597193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2590.597193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2590.597193 (E_RNA)
where:
Base-Base interactions energy: -1691.846
where: short stacking energy: -726.387
Base-Backbone interact. energy: 0.713
local terms energy: -899.463784
where:
bonds (distance) C4'-P energy: -174.717
bonds (distance) P-C4' energy: -184.776
flat angles C4'-P-C4' energy: -194.416
flat angles P-C4'-P energy: -138.858
tors. eta vs tors. theta energy: -206.697
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: 6
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -2407.461648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2407.461648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2407.461648 (E_RNA)
where:
Base-Base interactions energy: -1575.710
where: short stacking energy: -713.176
Base-Backbone interact. energy: 2.800
local terms energy: -834.551149
where:
bonds (distance) C4'-P energy: -159.138
bonds (distance) P-C4' energy: -170.648
flat angles C4'-P-C4' energy: -192.525
flat angles P-C4'-P energy: -123.816
tors. eta vs tors. theta energy: -188.425
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: 4, replica: 5
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -2341.345402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2341.345402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.345402 (E_RNA)
where:
Base-Base interactions energy: -1531.080
where: short stacking energy: -718.348
Base-Backbone interact. energy: -2.599
local terms energy: -807.666567
where:
bonds (distance) C4'-P energy: -160.034
bonds (distance) P-C4' energy: -152.941
flat angles C4'-P-C4' energy: -178.701
flat angles P-C4'-P energy: -117.044
tors. eta vs tors. theta energy: -198.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -2097.691595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.691595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.691595 (E_RNA)
where:
Base-Base interactions energy: -1303.742
where: short stacking energy: -633.222
Base-Backbone interact. energy: -2.703
local terms energy: -791.246829
where:
bonds (distance) C4'-P energy: -155.064
bonds (distance) P-C4' energy: -149.642
flat angles C4'-P-C4' energy: -198.327
flat angles P-C4'-P energy: -111.673
tors. eta vs tors. theta energy: -176.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -1737.129871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.129871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.129871 (E_RNA)
where:
Base-Base interactions energy: -1076.635
where: short stacking energy: -471.626
Base-Backbone interact. energy: 0.758
local terms energy: -661.252869
where:
bonds (distance) C4'-P energy: -143.617
bonds (distance) P-C4' energy: -159.145
flat angles C4'-P-C4' energy: -167.143
flat angles P-C4'-P energy: -83.754
tors. eta vs tors. theta energy: -107.594
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: 7, replica: 2
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -1221.659107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.659107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.659107 (E_RNA)
where:
Base-Base interactions energy: -668.821
where: short stacking energy: -351.806
Base-Backbone interact. energy: 5.450
local terms energy: -558.287963
where:
bonds (distance) C4'-P energy: -149.665
bonds (distance) P-C4' energy: -143.347
flat angles C4'-P-C4' energy: -138.422
flat angles P-C4'-P energy: -73.009
tors. eta vs tors. theta energy: -53.845
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: 8
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -1065.097270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.097270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.097270 (E_RNA)
where:
Base-Base interactions energy: -525.397
where: short stacking energy: -296.946
Base-Backbone interact. energy: -2.112
local terms energy: -537.588355
where:
bonds (distance) C4'-P energy: -142.680
bonds (distance) P-C4' energy: -155.557
flat angles C4'-P-C4' energy: -142.298
flat angles P-C4'-P energy: -70.043
tors. eta vs tors. theta energy: -27.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -912.484643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.484643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.484643 (E_RNA)
where:
Base-Base interactions energy: -442.515
where: short stacking energy: -261.547
Base-Backbone interact. energy: 1.403
local terms energy: -471.372877
where:
bonds (distance) C4'-P energy: -129.512
bonds (distance) P-C4' energy: -162.464
flat angles C4'-P-C4' energy: -124.599
flat angles P-C4'-P energy: -66.956
tors. eta vs tors. theta energy: 12.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -675.392248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.392248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.392248 (E_RNA)
where:
Base-Base interactions energy: -253.913
where: short stacking energy: -205.357
Base-Backbone interact. energy: -3.185
local terms energy: -418.294074
where:
bonds (distance) C4'-P energy: -118.953
bonds (distance) P-C4' energy: -156.136
flat angles C4'-P-C4' energy: -121.099
flat angles P-C4'-P energy: -41.623
tors. eta vs tors. theta energy: 19.516
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: 3
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -2840.195439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2840.195439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2840.195439 (E_RNA)
where:
Base-Base interactions energy: -1935.695
where: short stacking energy: -811.294
Base-Backbone interact. energy: -0.576
local terms energy: -903.924237
where:
bonds (distance) C4'-P energy: -175.196
bonds (distance) P-C4' energy: -173.592
flat angles C4'-P-C4' energy: -202.379
flat angles P-C4'-P energy: -127.528
tors. eta vs tors. theta energy: -225.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -2638.910897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2638.910897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2638.910897 (E_RNA)
where:
Base-Base interactions energy: -1734.321
where: short stacking energy: -762.406
Base-Backbone interact. energy: -3.602
local terms energy: -900.988728
where:
bonds (distance) C4'-P energy: -177.905
bonds (distance) P-C4' energy: -185.770
flat angles C4'-P-C4' energy: -193.943
flat angles P-C4'-P energy: -121.438
tors. eta vs tors. theta energy: -221.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -2401.617022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2401.617022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2401.617022 (E_RNA)
where:
Base-Base interactions energy: -1611.759
where: short stacking energy: -722.163
Base-Backbone interact. energy: -1.265
local terms energy: -788.593843
where:
bonds (distance) C4'-P energy: -167.455
bonds (distance) P-C4' energy: -163.499
flat angles C4'-P-C4' energy: -175.587
flat angles P-C4'-P energy: -102.555
tors. eta vs tors. theta energy: -179.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -2348.910370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2348.910370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2348.910370 (E_RNA)
where:
Base-Base interactions energy: -1560.897
where: short stacking energy: -677.419
Base-Backbone interact. energy: 0.306
local terms energy: -788.319501
where:
bonds (distance) C4'-P energy: -145.835
bonds (distance) P-C4' energy: -164.788
flat angles C4'-P-C4' energy: -172.029
flat angles P-C4'-P energy: -96.170
tors. eta vs tors. theta energy: -209.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -2108.171522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.171522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.171522 (E_RNA)
where:
Base-Base interactions energy: -1331.918
where: short stacking energy: -596.778
Base-Backbone interact. energy: -0.557
local terms energy: -775.696814
where:
bonds (distance) C4'-P energy: -174.212
bonds (distance) P-C4' energy: -154.829
flat angles C4'-P-C4' energy: -174.782
flat angles P-C4'-P energy: -113.067
tors. eta vs tors. theta energy: -158.806
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: 1
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -1836.536870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.536870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.536870 (E_RNA)
where:
Base-Base interactions energy: -1132.419
where: short stacking energy: -535.698
Base-Backbone interact. energy: -4.926
local terms energy: -699.192191
where:
bonds (distance) C4'-P energy: -155.805
bonds (distance) P-C4' energy: -169.892
flat angles C4'-P-C4' energy: -159.558
flat angles P-C4'-P energy: -89.571
tors. eta vs tors. theta energy: -124.366
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: 2
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -1323.734797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.734797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.734797 (E_RNA)
where:
Base-Base interactions energy: -737.147
where: short stacking energy: -403.893
Base-Backbone interact. energy: -6.035
local terms energy: -580.552579
where:
bonds (distance) C4'-P energy: -154.756
bonds (distance) P-C4' energy: -144.614
flat angles C4'-P-C4' energy: -134.694
flat angles P-C4'-P energy: -84.883
tors. eta vs tors. theta energy: -61.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -1071.637548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.637548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.637548 (E_RNA)
where:
Base-Base interactions energy: -506.205
where: short stacking energy: -310.192
Base-Backbone interact. energy: -0.309
local terms energy: -565.123508
where:
bonds (distance) C4'-P energy: -160.931
bonds (distance) P-C4' energy: -157.794
flat angles C4'-P-C4' energy: -144.649
flat angles P-C4'-P energy: -63.493
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: 9, replica: 4
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -877.916156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.916156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.916156 (E_RNA)
where:
Base-Base interactions energy: -357.575
where: short stacking energy: -214.838
Base-Backbone interact. energy: 3.991
local terms energy: -524.332892
where:
bonds (distance) C4'-P energy: -159.595
bonds (distance) P-C4' energy: -153.536
flat angles C4'-P-C4' energy: -124.378
flat angles P-C4'-P energy: -95.546
tors. eta vs tors. theta energy: 8.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -699.649325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.649325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.649325 (E_RNA)
where:
Base-Base interactions energy: -220.226
where: short stacking energy: -151.323
Base-Backbone interact. energy: -3.933
local terms energy: -475.490288
where:
bonds (distance) C4'-P energy: -149.379
bonds (distance) P-C4' energy: -149.492
flat angles C4'-P-C4' energy: -113.370
flat angles P-C4'-P energy: -95.983
tors. eta vs tors. theta energy: 32.733
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: 3
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -2824.374409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2824.374409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2824.374409 (E_RNA)
where:
Base-Base interactions energy: -1915.876
where: short stacking energy: -783.089
Base-Backbone interact. energy: 0.505
local terms energy: -909.004198
where:
bonds (distance) C4'-P energy: -169.308
bonds (distance) P-C4' energy: -193.931
flat angles C4'-P-C4' energy: -189.872
flat angles P-C4'-P energy: -131.505
tors. eta vs tors. theta energy: -224.387
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: 2, replica: 10
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -2647.440984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2647.440984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2647.440984 (E_RNA)
where:
Base-Base interactions energy: -1720.677
where: short stacking energy: -765.711
Base-Backbone interact. energy: 2.946
local terms energy: -929.710310
where:
bonds (distance) C4'-P energy: -184.125
bonds (distance) P-C4' energy: -188.241
flat angles C4'-P-C4' energy: -199.900
flat angles P-C4'-P energy: -129.831
tors. eta vs tors. theta energy: -227.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -2341.015689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2341.015689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.015689 (E_RNA)
where:
Base-Base interactions energy: -1525.294
where: short stacking energy: -684.540
Base-Backbone interact. energy: 4.074
local terms energy: -819.795176
where:
bonds (distance) C4'-P energy: -175.403
bonds (distance) P-C4' energy: -172.397
flat angles C4'-P-C4' energy: -182.357
flat angles P-C4'-P energy: -104.574
tors. eta vs tors. theta energy: -185.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -2321.262248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2321.262248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2321.262248 (E_RNA)
where:
Base-Base interactions energy: -1520.467
where: short stacking energy: -692.393
Base-Backbone interact. energy: -2.138
local terms energy: -798.657710
where:
bonds (distance) C4'-P energy: -159.870
bonds (distance) P-C4' energy: -159.437
flat angles C4'-P-C4' energy: -174.829
flat angles P-C4'-P energy: -99.724
tors. eta vs tors. theta energy: -204.797
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: 7
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -2055.935236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.935236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.935236 (E_RNA)
where:
Base-Base interactions energy: -1343.661
where: short stacking energy: -600.593
Base-Backbone interact. energy: -6.057
local terms energy: -706.217467
where:
bonds (distance) C4'-P energy: -146.789
bonds (distance) P-C4' energy: -141.080
flat angles C4'-P-C4' energy: -168.617
flat angles P-C4'-P energy: -103.427
tors. eta vs tors. theta energy: -146.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -1844.160754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.160754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.160754 (E_RNA)
where:
Base-Base interactions energy: -1124.538
where: short stacking energy: -492.088
Base-Backbone interact. energy: -2.545
local terms energy: -717.077606
where:
bonds (distance) C4'-P energy: -144.424
bonds (distance) P-C4' energy: -171.585
flat angles C4'-P-C4' energy: -179.040
flat angles P-C4'-P energy: -86.000
tors. eta vs tors. theta energy: -136.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -1268.534542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.534542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.534542 (E_RNA)
where:
Base-Base interactions energy: -690.145
where: short stacking energy: -368.296
Base-Backbone interact. energy: 2.778
local terms energy: -581.167762
where:
bonds (distance) C4'-P energy: -135.458
bonds (distance) P-C4' energy: -170.596
flat angles C4'-P-C4' energy: -164.946
flat angles P-C4'-P energy: -70.703
tors. eta vs tors. theta energy: -39.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -1134.202927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.202927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.202927 (E_RNA)
where:
Base-Base interactions energy: -555.343
where: short stacking energy: -319.014
Base-Backbone interact. energy: -2.459
local terms energy: -576.401347
where:
bonds (distance) C4'-P energy: -167.346
bonds (distance) P-C4' energy: -147.227
flat angles C4'-P-C4' energy: -130.305
flat angles P-C4'-P energy: -95.721
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: 9, replica: 4
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -874.701403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.701403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.701403 (E_RNA)
where:
Base-Base interactions energy: -413.485
where: short stacking energy: -254.510
Base-Backbone interact. energy: 11.850
local terms energy: -473.065831
where:
bonds (distance) C4'-P energy: -127.016
bonds (distance) P-C4' energy: -139.471
flat angles C4'-P-C4' energy: -116.319
flat angles P-C4'-P energy: -91.720
tors. eta vs tors. theta energy: 1.460
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: 79
Temperature: 1.350000
Total energy: -682.132086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.132086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.132086 (E_RNA)
where:
Base-Base interactions energy: -232.058
where: short stacking energy: -190.834
Base-Backbone interact. energy: -4.446
local terms energy: -445.627397
where:
bonds (distance) C4'-P energy: -145.818
bonds (distance) P-C4' energy: -134.548
flat angles C4'-P-C4' energy: -110.951
flat angles P-C4'-P energy: -81.792
tors. eta vs tors. theta energy: 27.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -2855.736433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2855.736433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2855.736433 (E_RNA)
where:
Base-Base interactions energy: -1932.791
where: short stacking energy: -801.288
Base-Backbone interact. energy: -1.671
local terms energy: -921.274401
where:
bonds (distance) C4'-P energy: -180.839
bonds (distance) P-C4' energy: -178.129
flat angles C4'-P-C4' energy: -201.767
flat angles P-C4'-P energy: -135.720
tors. eta vs tors. theta energy: -224.820
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: 2, replica: 10
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -2637.579096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2637.579096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2637.579096 (E_RNA)
where:
Base-Base interactions energy: -1724.642
where: short stacking energy: -773.192
Base-Backbone interact. energy: -3.480
local terms energy: -909.457363
where:
bonds (distance) C4'-P energy: -177.391
bonds (distance) P-C4' energy: -181.732
flat angles C4'-P-C4' energy: -198.889
flat angles P-C4'-P energy: -114.720
tors. eta vs tors. theta energy: -236.726
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: 5
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -2521.122061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2521.122061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2521.122061 (E_RNA)
where:
Base-Base interactions energy: -1672.466
where: short stacking energy: -741.047
Base-Backbone interact. energy: -0.636
local terms energy: -848.020987
where:
bonds (distance) C4'-P energy: -159.607
bonds (distance) P-C4' energy: -149.028
flat angles C4'-P-C4' energy: -190.403
flat angles P-C4'-P energy: -123.185
tors. eta vs tors. theta energy: -225.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -2316.365448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.365448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2316.365448 (E_RNA)
where:
Base-Base interactions energy: -1536.579
where: short stacking energy: -684.383
Base-Backbone interact. energy: -1.178
local terms energy: -778.608067
where:
bonds (distance) C4'-P energy: -140.157
bonds (distance) P-C4' energy: -164.880
flat angles C4'-P-C4' energy: -172.307
flat angles P-C4'-P energy: -111.436
tors. eta vs tors. theta energy: -189.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -2039.744464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.744464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.744464 (E_RNA)
where:
Base-Base interactions energy: -1309.050
where: short stacking energy: -587.401
Base-Backbone interact. energy: -1.129
local terms energy: -729.565361
where:
bonds (distance) C4'-P energy: -159.183
bonds (distance) P-C4' energy: -150.806
flat angles C4'-P-C4' energy: -168.894
flat angles P-C4'-P energy: -106.601
tors. eta vs tors. theta energy: -144.081
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: 1
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -1822.269218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.269218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.269218 (E_RNA)
where:
Base-Base interactions energy: -1133.671
where: short stacking energy: -520.419
Base-Backbone interact. energy: -0.705
local terms energy: -687.893793
where:
bonds (distance) C4'-P energy: -161.504
bonds (distance) P-C4' energy: -150.683
flat angles C4'-P-C4' energy: -152.737
flat angles P-C4'-P energy: -93.737
tors. eta vs tors. theta energy: -129.233
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: 7, replica: 2
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -1261.496894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.496894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.496894 (E_RNA)
where:
Base-Base interactions energy: -681.945
where: short stacking energy: -376.206
Base-Backbone interact. energy: -1.329
local terms energy: -578.223465
where:
bonds (distance) C4'-P energy: -150.975
bonds (distance) P-C4' energy: -142.061
flat angles C4'-P-C4' energy: -139.696
flat angles P-C4'-P energy: -92.916
tors. eta vs tors. theta energy: -52.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -1082.372554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.372554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.372554 (E_RNA)
where:
Base-Base interactions energy: -539.331
where: short stacking energy: -292.001
Base-Backbone interact. energy: 2.571
local terms energy: -545.613131
where:
bonds (distance) C4'-P energy: -128.762
bonds (distance) P-C4' energy: -129.180
flat angles C4'-P-C4' energy: -150.513
flat angles P-C4'-P energy: -97.169
tors. eta vs tors. theta energy: -39.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -845.929287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.929287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.929287 (E_RNA)
where:
Base-Base interactions energy: -348.814
where: short stacking energy: -212.653
Base-Backbone interact. energy: -1.516
local terms energy: -495.598863
where:
bonds (distance) C4'-P energy: -151.449
bonds (distance) P-C4' energy: -150.921
flat angles C4'-P-C4' energy: -125.934
flat angles P-C4'-P energy: -83.475
tors. eta vs tors. theta energy: 16.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -653.106573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.106573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.106573 (E_RNA)
where:
Base-Base interactions energy: -225.224
where: short stacking energy: -168.426
Base-Backbone interact. energy: 0.508
local terms energy: -428.390552
where:
bonds (distance) C4'-P energy: -135.189
bonds (distance) P-C4' energy: -163.576
flat angles C4'-P-C4' energy: -128.594
flat angles P-C4'-P energy: -26.344
tors. eta vs tors. theta energy: 25.313
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: 1, replica: 3
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -2821.297819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2821.297819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2821.297819 (E_RNA)
where:
Base-Base interactions energy: -1912.922
where: short stacking energy: -776.741
Base-Backbone interact. energy: 3.202
local terms energy: -911.577583
where:
bonds (distance) C4'-P energy: -168.978
bonds (distance) P-C4' energy: -202.556
flat angles C4'-P-C4' energy: -185.891
flat angles P-C4'-P energy: -123.552
tors. eta vs tors. theta energy: -230.600
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: 10
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -2651.603768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2651.603768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2651.603768 (E_RNA)
where:
Base-Base interactions energy: -1765.498
where: short stacking energy: -774.550
Base-Backbone interact. energy: -3.538
local terms energy: -882.568415
where:
bonds (distance) C4'-P energy: -162.528
bonds (distance) P-C4' energy: -179.702
flat angles C4'-P-C4' energy: -203.748
flat angles P-C4'-P energy: -111.361
tors. eta vs tors. theta energy: -225.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -2497.644044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2497.644044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2497.644044 (E_RNA)
where:
Base-Base interactions energy: -1676.109
where: short stacking energy: -756.017
Base-Backbone interact. energy: -4.131
local terms energy: -817.404706
where:
bonds (distance) C4'-P energy: -165.153
bonds (distance) P-C4' energy: -147.612
flat angles C4'-P-C4' energy: -184.539
flat angles P-C4'-P energy: -109.624
tors. eta vs tors. theta energy: -210.476
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: 6
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -2249.699662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2249.699662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2249.699662 (E_RNA)
where:
Base-Base interactions energy: -1457.019
where: short stacking energy: -665.347
Base-Backbone interact. energy: -1.909
local terms energy: -790.771738
where:
bonds (distance) C4'-P energy: -166.359
bonds (distance) P-C4' energy: -158.077
flat angles C4'-P-C4' energy: -200.769
flat angles P-C4'-P energy: -89.418
tors. eta vs tors. theta energy: -176.149
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: 5, replica: 7
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -2047.526491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.526491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.526491 (E_RNA)
where:
Base-Base interactions energy: -1303.764
where: short stacking energy: -576.444
Base-Backbone interact. energy: -0.365
local terms energy: -743.397151
where:
bonds (distance) C4'-P energy: -168.494
bonds (distance) P-C4' energy: -160.240
flat angles C4'-P-C4' energy: -161.752
flat angles P-C4'-P energy: -105.108
tors. eta vs tors. theta energy: -147.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -1756.864022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.864022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.864022 (E_RNA)
where:
Base-Base interactions energy: -1099.849
where: short stacking energy: -485.943
Base-Backbone interact. energy: -2.658
local terms energy: -654.357245
where:
bonds (distance) C4'-P energy: -154.540
bonds (distance) P-C4' energy: -176.811
flat angles C4'-P-C4' energy: -150.904
flat angles P-C4'-P energy: -83.156
tors. eta vs tors. theta energy: -88.945
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: 2
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -1299.233716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.233716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.233716 (E_RNA)
where:
Base-Base interactions energy: -722.631
where: short stacking energy: -378.349
Base-Backbone interact. energy: -5.631
local terms energy: -570.971389
where:
bonds (distance) C4'-P energy: -151.005
bonds (distance) P-C4' energy: -151.963
flat angles C4'-P-C4' energy: -137.351
flat angles P-C4'-P energy: -82.888
tors. eta vs tors. theta energy: -47.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -1088.296280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.296280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.296280 (E_RNA)
where:
Base-Base interactions energy: -575.392
where: short stacking energy: -322.762
Base-Backbone interact. energy: -3.125
local terms energy: -509.778917
where:
bonds (distance) C4'-P energy: -155.354
bonds (distance) P-C4' energy: -135.074
flat angles C4'-P-C4' energy: -123.756
flat angles P-C4'-P energy: -77.842
tors. eta vs tors. theta energy: -17.752
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: 4
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -857.394454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.394454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.394454 (E_RNA)
where:
Base-Base interactions energy: -409.579
where: short stacking energy: -244.324
Base-Backbone interact. energy: -6.163
local terms energy: -441.651869
where:
bonds (distance) C4'-P energy: -135.699
bonds (distance) P-C4' energy: -154.327
flat angles C4'-P-C4' energy: -111.054
flat angles P-C4'-P energy: -61.878
tors. eta vs tors. theta energy: 21.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -649.860446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.860446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.860446 (E_RNA)
where:
Base-Base interactions energy: -209.918
where: short stacking energy: -157.333
Base-Backbone interact. energy: -0.063
local terms energy: -439.879167
where:
bonds (distance) C4'-P energy: -151.846
bonds (distance) P-C4' energy: -146.658
flat angles C4'-P-C4' energy: -107.982
flat angles P-C4'-P energy: -77.482
tors. eta vs tors. theta energy: 44.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -2844.467779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2844.467779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2844.467779 (E_RNA)
where:
Base-Base interactions energy: -1940.485
where: short stacking energy: -797.448
Base-Backbone interact. energy: -3.715
local terms energy: -900.267696
where:
bonds (distance) C4'-P energy: -156.959
bonds (distance) P-C4' energy: -187.835
flat angles C4'-P-C4' energy: -207.725
flat angles P-C4'-P energy: -124.987
tors. eta vs tors. theta energy: -222.761
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: 82
Temperature: 0.950000
Total energy: -2647.188660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2647.188660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2647.188660 (E_RNA)
where:
Base-Base interactions energy: -1759.547
where: short stacking energy: -803.066
Base-Backbone interact. energy: -2.613
local terms energy: -885.027976
where:
bonds (distance) C4'-P energy: -174.523
bonds (distance) P-C4' energy: -166.316
flat angles C4'-P-C4' energy: -193.431
flat angles P-C4'-P energy: -119.221
tors. eta vs tors. theta energy: -231.538
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: 5
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -2468.430156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2468.430156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2468.430156 (E_RNA)
where:
Base-Base interactions energy: -1622.981
where: short stacking energy: -703.366
Base-Backbone interact. energy: 2.372
local terms energy: -847.821509
where:
bonds (distance) C4'-P energy: -158.145
bonds (distance) P-C4' energy: -167.844
flat angles C4'-P-C4' energy: -201.066
flat angles P-C4'-P energy: -112.206
tors. eta vs tors. theta energy: -208.561
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: 6
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -2243.779266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2243.779266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2243.779266 (E_RNA)
where:
Base-Base interactions energy: -1427.249
where: short stacking energy: -648.490
Base-Backbone interact. energy: -5.542
local terms energy: -810.988412
where:
bonds (distance) C4'-P energy: -162.467
bonds (distance) P-C4' energy: -178.740
flat angles C4'-P-C4' energy: -189.208
flat angles P-C4'-P energy: -111.744
tors. eta vs tors. theta energy: -168.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -2088.662379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.662379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.662379 (E_RNA)
where:
Base-Base interactions energy: -1318.139
where: short stacking energy: -594.476
Base-Backbone interact. energy: -6.292
local terms energy: -764.231421
where:
bonds (distance) C4'-P energy: -160.484
bonds (distance) P-C4' energy: -153.464
flat angles C4'-P-C4' energy: -179.176
flat angles P-C4'-P energy: -114.681
tors. eta vs tors. theta energy: -156.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -1783.410408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.410408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.410408 (E_RNA)
where:
Base-Base interactions energy: -1109.244
where: short stacking energy: -489.297
Base-Backbone interact. energy: -2.026
local terms energy: -672.140132
where:
bonds (distance) C4'-P energy: -145.499
bonds (distance) P-C4' energy: -167.582
flat angles C4'-P-C4' energy: -159.531
flat angles P-C4'-P energy: -114.031
tors. eta vs tors. theta energy: -85.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -1284.515502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.515502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.515502 (E_RNA)
where:
Base-Base interactions energy: -690.350
where: short stacking energy: -397.641
Base-Backbone interact. energy: 4.983
local terms energy: -599.148849
where:
bonds (distance) C4'-P energy: -157.434
bonds (distance) P-C4' energy: -165.156
flat angles C4'-P-C4' energy: -130.320
flat angles P-C4'-P energy: -82.874
tors. eta vs tors. theta energy: -63.365
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: 8, replica: 8
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -1061.587387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.587387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.587387 (E_RNA)
where:
Base-Base interactions energy: -555.151
where: short stacking energy: -275.401
Base-Backbone interact. energy: -1.309
local terms energy: -505.127662
where:
bonds (distance) C4'-P energy: -138.533
bonds (distance) P-C4' energy: -142.015
flat angles C4'-P-C4' energy: -144.895
flat angles P-C4'-P energy: -75.743
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: 9, replica: 4
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -881.378736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.378736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.378736 (E_RNA)
where:
Base-Base interactions energy: -382.651
where: short stacking energy: -230.948
Base-Backbone interact. energy: 0.040
local terms energy: -498.767847
where:
bonds (distance) C4'-P energy: -151.415
bonds (distance) P-C4' energy: -144.782
flat angles C4'-P-C4' energy: -135.517
flat angles P-C4'-P energy: -89.470
tors. eta vs tors. theta energy: 22.415
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: 9
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -656.797387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.797387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.797387 (E_RNA)
where:
Base-Base interactions energy: -232.192
where: short stacking energy: -180.986
Base-Backbone interact. energy: 1.235
local terms energy: -425.840322
where:
bonds (distance) C4'-P energy: -138.248
bonds (distance) P-C4' energy: -141.247
flat angles C4'-P-C4' energy: -110.627
flat angles P-C4'-P energy: -75.969
tors. eta vs tors. theta energy: 40.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -2819.249837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2819.249837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2819.249837 (E_RNA)
where:
Base-Base interactions energy: -1935.587
where: short stacking energy: -776.901
Base-Backbone interact. energy: 0.522
local terms energy: -884.185080
where:
bonds (distance) C4'-P energy: -178.108
bonds (distance) P-C4' energy: -177.343
flat angles C4'-P-C4' energy: -178.015
flat angles P-C4'-P energy: -138.313
tors. eta vs tors. theta energy: -212.406
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: 2, replica: 10
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -2627.138316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2627.138316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2627.138316 (E_RNA)
where:
Base-Base interactions energy: -1714.831
where: short stacking energy: -762.401
Base-Backbone interact. energy: -3.014
local terms energy: -909.293614
where:
bonds (distance) C4'-P energy: -173.273
bonds (distance) P-C4' energy: -171.354
flat angles C4'-P-C4' energy: -195.663
flat angles P-C4'-P energy: -130.493
tors. eta vs tors. theta energy: -238.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -2452.707489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2452.707489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2452.707489 (E_RNA)
where:
Base-Base interactions energy: -1613.141
where: short stacking energy: -729.507
Base-Backbone interact. energy: -1.264
local terms energy: -838.302869
where:
bonds (distance) C4'-P energy: -169.221
bonds (distance) P-C4' energy: -164.115
flat angles C4'-P-C4' energy: -192.203
flat angles P-C4'-P energy: -104.844
tors. eta vs tors. theta energy: -207.919
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: 4, replica: 6
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -2314.375037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.375037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2314.375037 (E_RNA)
where:
Base-Base interactions energy: -1532.662
where: short stacking energy: -680.588
Base-Backbone interact. energy: -3.004
local terms energy: -778.708727
where:
bonds (distance) C4'-P energy: -166.055
bonds (distance) P-C4' energy: -162.763
flat angles C4'-P-C4' energy: -182.440
flat angles P-C4'-P energy: -99.182
tors. eta vs tors. theta energy: -168.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -2094.999894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.999894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.999894 (E_RNA)
where:
Base-Base interactions energy: -1356.597
where: short stacking energy: -586.776
Base-Backbone interact. energy: -4.715
local terms energy: -733.688045
where:
bonds (distance) C4'-P energy: -152.421
bonds (distance) P-C4' energy: -161.340
flat angles C4'-P-C4' energy: -168.575
flat angles P-C4'-P energy: -100.247
tors. eta vs tors. theta energy: -151.104
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: 83
Temperature: 1.150000
Total energy: -1846.809910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.809910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.809910 (E_RNA)
where:
Base-Base interactions energy: -1169.526
where: short stacking energy: -520.379
Base-Backbone interact. energy: -1.708
local terms energy: -675.576374
where:
bonds (distance) C4'-P energy: -150.665
bonds (distance) P-C4' energy: -158.264
flat angles C4'-P-C4' energy: -149.182
flat angles P-C4'-P energy: -103.552
tors. eta vs tors. theta energy: -113.914
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: 2
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -1349.790987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.790987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.790987 (E_RNA)
where:
Base-Base interactions energy: -724.921
where: short stacking energy: -372.471
Base-Backbone interact. energy: -2.755
local terms energy: -622.114683
where:
bonds (distance) C4'-P energy: -161.836
bonds (distance) P-C4' energy: -177.194
flat angles C4'-P-C4' energy: -150.138
flat angles P-C4'-P energy: -90.847
tors. eta vs tors. theta energy: -42.100
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: 8
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -1067.183260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.183260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.183260 (E_RNA)
where:
Base-Base interactions energy: -555.607
where: short stacking energy: -280.521
Base-Backbone interact. energy: 2.220
local terms energy: -513.796439
where:
bonds (distance) C4'-P energy: -164.795
bonds (distance) P-C4' energy: -142.476
flat angles C4'-P-C4' energy: -133.913
flat angles P-C4'-P energy: -74.855
tors. eta vs tors. theta energy: 2.242
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: 9, replica: 4
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -817.326853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.326853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.326853 (E_RNA)
where:
Base-Base interactions energy: -355.086
where: short stacking energy: -236.504
Base-Backbone interact. energy: 4.124
local terms energy: -466.364414
where:
bonds (distance) C4'-P energy: -156.074
bonds (distance) P-C4' energy: -140.893
flat angles C4'-P-C4' energy: -126.249
flat angles P-C4'-P energy: -64.866
tors. eta vs tors. theta energy: 21.718
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: 9
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -651.843209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.843209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.843209 (E_RNA)
where:
Base-Base interactions energy: -232.805
where: short stacking energy: -160.152
Base-Backbone interact. energy: -0.590
local terms energy: -418.448754
where:
bonds (distance) C4'-P energy: -134.601
bonds (distance) P-C4' energy: -130.647
flat angles C4'-P-C4' energy: -117.081
flat angles P-C4'-P energy: -81.421
tors. eta vs tors. theta energy: 45.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -2842.820870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2842.820870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2842.820870 (E_RNA)
where:
Base-Base interactions energy: -1935.595
where: short stacking energy: -789.466
Base-Backbone interact. energy: -4.065
local terms energy: -903.160986
where:
bonds (distance) C4'-P energy: -190.371
bonds (distance) P-C4' energy: -174.060
flat angles C4'-P-C4' energy: -187.986
flat angles P-C4'-P energy: -123.685
tors. eta vs tors. theta energy: -227.059
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: 2, replica: 10
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -2653.633733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2653.633733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2653.633733 (E_RNA)
where:
Base-Base interactions energy: -1737.775
where: short stacking energy: -776.422
Base-Backbone interact. energy: -2.151
local terms energy: -913.708207
where:
bonds (distance) C4'-P energy: -170.251
bonds (distance) P-C4' energy: -177.363
flat angles C4'-P-C4' energy: -202.543
flat angles P-C4'-P energy: -141.843
tors. eta vs tors. theta energy: -221.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -2486.076830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2486.076830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2486.076830 (E_RNA)
where:
Base-Base interactions energy: -1639.832
where: short stacking energy: -716.736
Base-Backbone interact. energy: -5.718
local terms energy: -840.526533
where:
bonds (distance) C4'-P energy: -174.397
bonds (distance) P-C4' energy: -162.115
flat angles C4'-P-C4' energy: -198.151
flat angles P-C4'-P energy: -107.339
tors. eta vs tors. theta energy: -198.525
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: 4, replica: 6
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -2280.223457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2280.223457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.223457 (E_RNA)
where:
Base-Base interactions energy: -1484.806
where: short stacking energy: -647.084
Base-Backbone interact. energy: -3.609
local terms energy: -791.808927
where:
bonds (distance) C4'-P energy: -154.563
bonds (distance) P-C4' energy: -183.387
flat angles C4'-P-C4' energy: -181.497
flat angles P-C4'-P energy: -88.312
tors. eta vs tors. theta energy: -184.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -2111.166012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.166012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.166012 (E_RNA)
where:
Base-Base interactions energy: -1352.275
where: short stacking energy: -621.199
Base-Backbone interact. energy: -0.765
local terms energy: -758.126611
where:
bonds (distance) C4'-P energy: -150.020
bonds (distance) P-C4' energy: -172.672
flat angles C4'-P-C4' energy: -157.925
flat angles P-C4'-P energy: -115.205
tors. eta vs tors. theta energy: -162.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -1786.592530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.592530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.592530 (E_RNA)
where:
Base-Base interactions energy: -1103.310
where: short stacking energy: -495.111
Base-Backbone interact. energy: -3.511
local terms energy: -679.772168
where:
bonds (distance) C4'-P energy: -150.906
bonds (distance) P-C4' energy: -156.826
flat angles C4'-P-C4' energy: -154.264
flat angles P-C4'-P energy: -109.376
tors. eta vs tors. theta energy: -108.400
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: 2
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -1313.908278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.908278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.908278 (E_RNA)
where:
Base-Base interactions energy: -725.944
where: short stacking energy: -365.003
Base-Backbone interact. energy: 3.797
local terms energy: -591.761530
where:
bonds (distance) C4'-P energy: -136.613
bonds (distance) P-C4' energy: -170.096
flat angles C4'-P-C4' energy: -158.641
flat angles P-C4'-P energy: -81.929
tors. eta vs tors. theta energy: -44.482
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: 8
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -1105.786926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.786926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.786926 (E_RNA)
where:
Base-Base interactions energy: -528.854
where: short stacking energy: -298.516
Base-Backbone interact. energy: -0.057
local terms energy: -576.875207
where:
bonds (distance) C4'-P energy: -151.100
bonds (distance) P-C4' energy: -158.746
flat angles C4'-P-C4' energy: -155.979
flat angles P-C4'-P energy: -85.693
tors. eta vs tors. theta energy: -25.356
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: 4
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -905.996546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.996546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.996546 (E_RNA)
where:
Base-Base interactions energy: -427.210
where: short stacking energy: -265.683
Base-Backbone interact. energy: 3.593
local terms energy: -482.379096
where:
bonds (distance) C4'-P energy: -137.096
bonds (distance) P-C4' energy: -136.891
flat angles C4'-P-C4' energy: -129.803
flat angles P-C4'-P energy: -82.408
tors. eta vs tors. theta energy: 3.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -624.778265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.778265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.778265 (E_RNA)
where:
Base-Base interactions energy: -201.068
where: short stacking energy: -145.350
Base-Backbone interact. energy: 6.771
local terms energy: -431.038154
where:
bonds (distance) C4'-P energy: -144.087
bonds (distance) P-C4' energy: -156.200
flat angles C4'-P-C4' energy: -103.742
flat angles P-C4'-P energy: -76.065
tors. eta vs tors. theta energy: 49.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.557 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -2838.602846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2838.602846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2838.602846 (E_RNA)
where:
Base-Base interactions energy: -1924.411
where: short stacking energy: -800.233
Base-Backbone interact. energy: -1.961
local terms energy: -912.231252
where:
bonds (distance) C4'-P energy: -191.726
bonds (distance) P-C4' energy: -181.547
flat angles C4'-P-C4' energy: -181.687
flat angles P-C4'-P energy: -133.394
tors. eta vs tors. theta energy: -223.877
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: 10
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -2634.636177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2634.636177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2634.636177 (E_RNA)
where:
Base-Base interactions energy: -1750.729
where: short stacking energy: -790.895
Base-Backbone interact. energy: -4.532
local terms energy: -879.375000
where:
bonds (distance) C4'-P energy: -182.939
bonds (distance) P-C4' energy: -169.744
flat angles C4'-P-C4' energy: -188.182
flat angles P-C4'-P energy: -120.066
tors. eta vs tors. theta energy: -218.444
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: 5
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -2433.054712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2433.054712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2433.054712 (E_RNA)
where:
Base-Base interactions energy: -1586.944
where: short stacking energy: -706.832
Base-Backbone interact. energy: -2.205
local terms energy: -843.906002
where:
bonds (distance) C4'-P energy: -178.761
bonds (distance) P-C4' energy: -170.376
flat angles C4'-P-C4' energy: -170.321
flat angles P-C4'-P energy: -111.775
tors. eta vs tors. theta energy: -212.673
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: 4, replica: 6
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -2313.914278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2313.914278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.914278 (E_RNA)
where:
Base-Base interactions energy: -1518.207
where: short stacking energy: -620.983
Base-Backbone interact. energy: -1.669
local terms energy: -794.038574
where:
bonds (distance) C4'-P energy: -159.473
bonds (distance) P-C4' energy: -159.727
flat angles C4'-P-C4' energy: -187.696
flat angles P-C4'-P energy: -116.437
tors. eta vs tors. theta energy: -170.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -2140.657358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2140.657358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2140.657358 (E_RNA)
where:
Base-Base interactions energy: -1355.557
where: short stacking energy: -655.361
Base-Backbone interact. energy: -4.283
local terms energy: -780.817170
where:
bonds (distance) C4'-P energy: -151.129
bonds (distance) P-C4' energy: -162.983
flat angles C4'-P-C4' energy: -182.986
flat angles P-C4'-P energy: -110.493
tors. eta vs tors. theta energy: -173.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -1687.753150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.753150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.753150 (E_RNA)
where:
Base-Base interactions energy: -1023.591
where: short stacking energy: -452.794
Base-Backbone interact. energy: 1.967
local terms energy: -666.129306
where:
bonds (distance) C4'-P energy: -144.921
bonds (distance) P-C4' energy: -160.647
flat angles C4'-P-C4' energy: -159.232
flat angles P-C4'-P energy: -105.253
tors. eta vs tors. theta energy: -96.076
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: 2
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -1329.813873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.813873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.813873 (E_RNA)
where:
Base-Base interactions energy: -740.014
where: short stacking energy: -391.282
Base-Backbone interact. energy: -2.118
local terms energy: -587.681821
where:
bonds (distance) C4'-P energy: -151.472
bonds (distance) P-C4' energy: -147.713
flat angles C4'-P-C4' energy: -148.883
flat angles P-C4'-P energy: -85.192
tors. eta vs tors. theta energy: -54.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -1055.559919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.559919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.559919 (E_RNA)
where:
Base-Base interactions energy: -535.452
where: short stacking energy: -292.650
Base-Backbone interact. energy: 1.571
local terms energy: -521.678251
where:
bonds (distance) C4'-P energy: -158.312
bonds (distance) P-C4' energy: -157.210
flat angles C4'-P-C4' energy: -140.302
flat angles P-C4'-P energy: -58.490
tors. eta vs tors. theta energy: -7.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -851.454408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.454408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.454408 (E_RNA)
where:
Base-Base interactions energy: -375.539
where: short stacking energy: -247.371
Base-Backbone interact. energy: 8.011
local terms energy: -483.927036
where:
bonds (distance) C4'-P energy: -134.315
bonds (distance) P-C4' energy: -149.906
flat angles C4'-P-C4' energy: -133.648
flat angles P-C4'-P energy: -88.512
tors. eta vs tors. theta energy: 22.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -676.655596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.655596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.655596 (E_RNA)
where:
Base-Base interactions energy: -209.321
where: short stacking energy: -157.269
Base-Backbone interact. energy: -2.002
local terms energy: -465.333023
where:
bonds (distance) C4'-P energy: -145.132
bonds (distance) P-C4' energy: -168.462
flat angles C4'-P-C4' energy: -126.925
flat angles P-C4'-P energy: -62.022
tors. eta vs tors. theta energy: 37.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -2837.535386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2837.535386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2837.535386 (E_RNA)
where:
Base-Base interactions energy: -1944.555
where: short stacking energy: -817.009
Base-Backbone interact. energy: -4.049
local terms energy: -888.931225
where:
bonds (distance) C4'-P energy: -170.664
bonds (distance) P-C4' energy: -174.166
flat angles C4'-P-C4' energy: -189.042
flat angles P-C4'-P energy: -124.303
tors. eta vs tors. theta energy: -230.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -2645.430614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2645.430614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2645.430614 (E_RNA)
where:
Base-Base interactions energy: -1760.859
where: short stacking energy: -804.120
Base-Backbone interact. energy: -0.063
local terms energy: -884.508215
where:
bonds (distance) C4'-P energy: -167.573
bonds (distance) P-C4' energy: -165.267
flat angles C4'-P-C4' energy: -204.294
flat angles P-C4'-P energy: -115.014
tors. eta vs tors. theta energy: -232.361
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: 5
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -2408.017978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2408.017978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2408.017978 (E_RNA)
where:
Base-Base interactions energy: -1605.850
where: short stacking energy: -687.291
Base-Backbone interact. energy: 2.015
local terms energy: -804.182740
where:
bonds (distance) C4'-P energy: -172.432
bonds (distance) P-C4' energy: -161.691
flat angles C4'-P-C4' energy: -179.011
flat angles P-C4'-P energy: -104.015
tors. eta vs tors. theta energy: -187.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -2260.755385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2260.755385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2260.755385 (E_RNA)
where:
Base-Base interactions energy: -1509.496
where: short stacking energy: -653.683
Base-Backbone interact. energy: 0.276
local terms energy: -751.534972
where:
bonds (distance) C4'-P energy: -154.977
bonds (distance) P-C4' energy: -155.369
flat angles C4'-P-C4' energy: -163.391
flat angles P-C4'-P energy: -106.935
tors. eta vs tors. theta energy: -170.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -2152.985261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.985261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2152.985261 (E_RNA)
where:
Base-Base interactions energy: -1408.547
where: short stacking energy: -657.964
Base-Backbone interact. energy: -1.587
local terms energy: -742.851415
where:
bonds (distance) C4'-P energy: -159.195
bonds (distance) P-C4' energy: -164.694
flat angles C4'-P-C4' energy: -164.582
flat angles P-C4'-P energy: -96.179
tors. eta vs tors. theta energy: -158.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -1626.675861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.675861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.675861 (E_RNA)
where:
Base-Base interactions energy: -976.644
where: short stacking energy: -451.968
Base-Backbone interact. energy: -2.180
local terms energy: -647.851880
where:
bonds (distance) C4'-P energy: -151.042
bonds (distance) P-C4' energy: -158.550
flat angles C4'-P-C4' energy: -172.248
flat angles P-C4'-P energy: -87.994
tors. eta vs tors. theta energy: -78.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -1259.746679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.746679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.746679 (E_RNA)
where:
Base-Base interactions energy: -692.905
where: short stacking energy: -386.350
Base-Backbone interact. energy: 2.984
local terms energy: -569.826033
where:
bonds (distance) C4'-P energy: -122.338
bonds (distance) P-C4' energy: -161.815
flat angles C4'-P-C4' energy: -149.833
flat angles P-C4'-P energy: -94.346
tors. eta vs tors. theta energy: -41.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -1081.230990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.230990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.230990 (E_RNA)
where:
Base-Base interactions energy: -571.660
where: short stacking energy: -277.857
Base-Backbone interact. energy: -2.452
local terms energy: -507.118120
where:
bonds (distance) C4'-P energy: -149.144
bonds (distance) P-C4' energy: -131.891
flat angles C4'-P-C4' energy: -133.975
flat angles P-C4'-P energy: -80.118
tors. eta vs tors. theta energy: -11.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -839.268683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.268683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.268683 (E_RNA)
where:
Base-Base interactions energy: -381.608
where: short stacking energy: -235.758
Base-Backbone interact. energy: 6.158
local terms energy: -463.818528
where:
bonds (distance) C4'-P energy: -132.625
bonds (distance) P-C4' energy: -154.311
flat angles C4'-P-C4' energy: -126.592
flat angles P-C4'-P energy: -72.715
tors. eta vs tors. theta energy: 22.425
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: 9
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -683.789074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.789074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.789074 (E_RNA)
where:
Base-Base interactions energy: -222.532
where: short stacking energy: -165.276
Base-Backbone interact. energy: -0.672
local terms energy: -460.584637
where:
bonds (distance) C4'-P energy: -167.641
bonds (distance) P-C4' energy: -153.282
flat angles C4'-P-C4' energy: -112.648
flat angles P-C4'-P energy: -67.769
tors. eta vs tors. theta energy: 40.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -2834.947598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2834.947598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2834.947598 (E_RNA)
where:
Base-Base interactions energy: -1933.576
where: short stacking energy: -811.040
Base-Backbone interact. energy: 4.598
local terms energy: -905.969605
where:
bonds (distance) C4'-P energy: -152.708
bonds (distance) P-C4' energy: -200.809
flat angles C4'-P-C4' energy: -197.453
flat angles P-C4'-P energy: -130.415
tors. eta vs tors. theta energy: -224.584
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: 2, replica: 10
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -2614.493317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2614.493317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2614.493317 (E_RNA)
where:
Base-Base interactions energy: -1756.110
where: short stacking energy: -771.458
Base-Backbone interact. energy: -3.139
local terms energy: -855.244445
where:
bonds (distance) C4'-P energy: -158.094
bonds (distance) P-C4' energy: -155.021
flat angles C4'-P-C4' energy: -205.960
flat angles P-C4'-P energy: -120.571
tors. eta vs tors. theta energy: -215.599
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: 5
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -2437.661295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2437.661295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2437.661295 (E_RNA)
where:
Base-Base interactions energy: -1587.439
where: short stacking energy: -738.382
Base-Backbone interact. energy: -3.097
local terms energy: -847.125922
where:
bonds (distance) C4'-P energy: -159.156
bonds (distance) P-C4' energy: -167.564
flat angles C4'-P-C4' energy: -188.435
flat angles P-C4'-P energy: -115.023
tors. eta vs tors. theta energy: -216.948
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: 6
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -2186.886934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2186.886934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2186.886934 (E_RNA)
where:
Base-Base interactions energy: -1445.536
where: short stacking energy: -606.209
Base-Backbone interact. energy: -3.563
local terms energy: -737.788258
where:
bonds (distance) C4'-P energy: -153.934
bonds (distance) P-C4' energy: -168.232
flat angles C4'-P-C4' energy: -177.038
flat angles P-C4'-P energy: -100.336
tors. eta vs tors. theta energy: -138.248
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: 5, replica: 7
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -2151.246989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2151.246989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2151.246989 (E_RNA)
where:
Base-Base interactions energy: -1418.302
where: short stacking energy: -659.787
Base-Backbone interact. energy: -0.391
local terms energy: -732.554249
where:
bonds (distance) C4'-P energy: -150.511
bonds (distance) P-C4' energy: -144.401
flat angles C4'-P-C4' energy: -164.856
flat angles P-C4'-P energy: -112.223
tors. eta vs tors. theta energy: -160.563
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: 1
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -1652.416494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.416494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.416494 (E_RNA)
where:
Base-Base interactions energy: -1018.022
where: short stacking energy: -481.717
Base-Backbone interact. energy: -7.505
local terms energy: -626.889652
where:
bonds (distance) C4'-P energy: -134.612
bonds (distance) P-C4' energy: -174.130
flat angles C4'-P-C4' energy: -132.901
flat angles P-C4'-P energy: -99.773
tors. eta vs tors. theta energy: -85.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -1227.187244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.187244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.187244 (E_RNA)
where:
Base-Base interactions energy: -675.882
where: short stacking energy: -377.867
Base-Backbone interact. energy: 5.416
local terms energy: -556.721055
where:
bonds (distance) C4'-P energy: -151.211
bonds (distance) P-C4' energy: -151.374
flat angles C4'-P-C4' energy: -135.061
flat angles P-C4'-P energy: -69.408
tors. eta vs tors. theta energy: -49.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -1047.006163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.006163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.006163 (E_RNA)
where:
Base-Base interactions energy: -508.550
where: short stacking energy: -290.791
Base-Backbone interact. energy: -0.490
local terms energy: -537.965768
where:
bonds (distance) C4'-P energy: -149.713
bonds (distance) P-C4' energy: -176.891
flat angles C4'-P-C4' energy: -139.138
flat angles P-C4'-P energy: -69.733
tors. eta vs tors. theta energy: -2.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -904.356152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.356152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.356152 (E_RNA)
where:
Base-Base interactions energy: -404.001
where: short stacking energy: -249.590
Base-Backbone interact. energy: 1.739
local terms energy: -502.093850
where:
bonds (distance) C4'-P energy: -148.643
bonds (distance) P-C4' energy: -165.313
flat angles C4'-P-C4' energy: -108.093
flat angles P-C4'-P energy: -82.191
tors. eta vs tors. theta energy: 2.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -647.756161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.756161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.756161 (E_RNA)
where:
Base-Base interactions energy: -246.127
where: short stacking energy: -169.587
Base-Backbone interact. energy: 3.158
local terms energy: -404.787281
where:
bonds (distance) C4'-P energy: -150.150
bonds (distance) P-C4' energy: -130.394
flat angles C4'-P-C4' energy: -106.881
flat angles P-C4'-P energy: -64.253
tors. eta vs tors. theta energy: 46.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -2830.513527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2830.513527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2830.513527 (E_RNA)
where:
Base-Base interactions energy: -1915.420
where: short stacking energy: -808.830
Base-Backbone interact. energy: 4.435
local terms energy: -919.528705
where:
bonds (distance) C4'-P energy: -178.714
bonds (distance) P-C4' energy: -185.851
flat angles C4'-P-C4' energy: -185.822
flat angles P-C4'-P energy: -139.983
tors. eta vs tors. theta energy: -229.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -2604.090448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2604.090448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2604.090448 (E_RNA)
where:
Base-Base interactions energy: -1706.378
where: short stacking energy: -776.180
Base-Backbone interact. energy: -2.023
local terms energy: -895.689064
where:
bonds (distance) C4'-P energy: -170.030
bonds (distance) P-C4' energy: -189.479
flat angles C4'-P-C4' energy: -193.647
flat angles P-C4'-P energy: -119.336
tors. eta vs tors. theta energy: -223.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -2454.883087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2454.883087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2454.883087 (E_RNA)
where:
Base-Base interactions energy: -1621.658
where: short stacking energy: -733.446
Base-Backbone interact. energy: -1.725
local terms energy: -831.499197
where:
bonds (distance) C4'-P energy: -163.686
bonds (distance) P-C4' energy: -160.333
flat angles C4'-P-C4' energy: -185.709
flat angles P-C4'-P energy: -111.545
tors. eta vs tors. theta energy: -210.225
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: 6
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -2309.396460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2309.396460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2309.396460 (E_RNA)
where:
Base-Base interactions energy: -1518.135
where: short stacking energy: -642.238
Base-Backbone interact. energy: -5.799
local terms energy: -785.462995
where:
bonds (distance) C4'-P energy: -171.970
bonds (distance) P-C4' energy: -144.972
flat angles C4'-P-C4' energy: -179.487
flat angles P-C4'-P energy: -120.257
tors. eta vs tors. theta energy: -168.777
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: 7
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -2091.895163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.895163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.895163 (E_RNA)
where:
Base-Base interactions energy: -1320.907
where: short stacking energy: -585.345
Base-Backbone interact. energy: 2.530
local terms energy: -773.517785
where:
bonds (distance) C4'-P energy: -157.575
bonds (distance) P-C4' energy: -173.028
flat angles C4'-P-C4' energy: -165.967
flat angles P-C4'-P energy: -118.821
tors. eta vs tors. theta energy: -158.126
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: 1
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -1635.628261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.628261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.628261 (E_RNA)
where:
Base-Base interactions energy: -1015.357
where: short stacking energy: -452.752
Base-Backbone interact. energy: -1.585
local terms energy: -618.686576
where:
bonds (distance) C4'-P energy: -149.260
bonds (distance) P-C4' energy: -166.605
flat angles C4'-P-C4' energy: -136.502
flat angles P-C4'-P energy: -69.993
tors. eta vs tors. theta energy: -96.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -1252.091197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.091197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.091197 (E_RNA)
where:
Base-Base interactions energy: -619.071
where: short stacking energy: -346.481
Base-Backbone interact. energy: 2.107
local terms energy: -635.126800
where:
bonds (distance) C4'-P energy: -180.948
bonds (distance) P-C4' energy: -179.076
flat angles C4'-P-C4' energy: -141.317
flat angles P-C4'-P energy: -83.951
tors. eta vs tors. theta energy: -49.835
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: 8
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -1061.463569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.463569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.463569 (E_RNA)
where:
Base-Base interactions energy: -542.695
where: short stacking energy: -334.791
Base-Backbone interact. energy: -4.265
local terms energy: -514.504017
where:
bonds (distance) C4'-P energy: -154.113
bonds (distance) P-C4' energy: -145.380
flat angles C4'-P-C4' energy: -131.742
flat angles P-C4'-P energy: -49.998
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: 9, replica: 4
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -897.813311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.813311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.813311 (E_RNA)
where:
Base-Base interactions energy: -420.736
where: short stacking energy: -254.919
Base-Backbone interact. energy: 8.784
local terms energy: -485.860844
where:
bonds (distance) C4'-P energy: -168.505
bonds (distance) P-C4' energy: -144.036
flat angles C4'-P-C4' energy: -110.937
flat angles P-C4'-P energy: -49.036
tors. eta vs tors. theta energy: -13.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -746.382262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.382262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.382262 (E_RNA)
where:
Base-Base interactions energy: -300.886
where: short stacking energy: -208.893
Base-Backbone interact. energy: -1.935
local terms energy: -443.561454
where:
bonds (distance) C4'-P energy: -128.844
bonds (distance) P-C4' energy: -134.761
flat angles C4'-P-C4' energy: -135.256
flat angles P-C4'-P energy: -66.925
tors. eta vs tors. theta energy: 22.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -2826.467032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2826.467032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2826.467032 (E_RNA)
where:
Base-Base interactions energy: -1905.484
where: short stacking energy: -802.047
Base-Backbone interact. energy: -1.895
local terms energy: -919.088261
where:
bonds (distance) C4'-P energy: -171.079
bonds (distance) P-C4' energy: -189.561
flat angles C4'-P-C4' energy: -193.756
flat angles P-C4'-P energy: -139.803
tors. eta vs tors. theta energy: -224.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -2632.733374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2632.733374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2632.733374 (E_RNA)
where:
Base-Base interactions energy: -1740.357
where: short stacking energy: -790.640
Base-Backbone interact. energy: -0.752
local terms energy: -891.625041
where:
bonds (distance) C4'-P energy: -179.789
bonds (distance) P-C4' energy: -168.711
flat angles C4'-P-C4' energy: -203.210
flat angles P-C4'-P energy: -107.707
tors. eta vs tors. theta energy: -232.208
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: 5
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -2450.128308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2450.128308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2450.128308 (E_RNA)
where:
Base-Base interactions energy: -1627.628
where: short stacking energy: -735.656
Base-Backbone interact. energy: 3.416
local terms energy: -825.916628
where:
bonds (distance) C4'-P energy: -154.654
bonds (distance) P-C4' energy: -159.386
flat angles C4'-P-C4' energy: -178.820
flat angles P-C4'-P energy: -130.930
tors. eta vs tors. theta energy: -202.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -2234.676971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.676971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2234.676971 (E_RNA)
where:
Base-Base interactions energy: -1459.656
where: short stacking energy: -643.960
Base-Backbone interact. energy: -5.844
local terms energy: -769.177540
where:
bonds (distance) C4'-P energy: -156.016
bonds (distance) P-C4' energy: -165.980
flat angles C4'-P-C4' energy: -176.382
flat angles P-C4'-P energy: -103.886
tors. eta vs tors. theta energy: -166.913
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: 7
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -2125.648492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.648492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.648492 (E_RNA)
where:
Base-Base interactions energy: -1376.853
where: short stacking energy: -615.094
Base-Backbone interact. energy: -2.751
local terms energy: -746.044384
where:
bonds (distance) C4'-P energy: -157.672
bonds (distance) P-C4' energy: -155.045
flat angles C4'-P-C4' energy: -170.602
flat angles P-C4'-P energy: -92.879
tors. eta vs tors. theta energy: -169.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -1650.839585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.839585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.839585 (E_RNA)
where:
Base-Base interactions energy: -1041.050
where: short stacking energy: -465.701
Base-Backbone interact. energy: 4.739
local terms energy: -614.528426
where:
bonds (distance) C4'-P energy: -131.435
bonds (distance) P-C4' energy: -163.134
flat angles C4'-P-C4' energy: -152.097
flat angles P-C4'-P energy: -84.094
tors. eta vs tors. theta energy: -83.768
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: 7, replica: 2
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -1235.308368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.308368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.308368 (E_RNA)
where:
Base-Base interactions energy: -660.306
where: short stacking energy: -344.767
Base-Backbone interact. energy: 0.345
local terms energy: -575.347777
where:
bonds (distance) C4'-P energy: -160.168
bonds (distance) P-C4' energy: -167.523
flat angles C4'-P-C4' energy: -120.419
flat angles P-C4'-P energy: -79.468
tors. eta vs tors. theta energy: -47.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -1076.116257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.116257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.116257 (E_RNA)
where:
Base-Base interactions energy: -551.612
where: short stacking energy: -323.722
Base-Backbone interact. energy: -2.500
local terms energy: -522.003719
where:
bonds (distance) C4'-P energy: -129.794
bonds (distance) P-C4' energy: -158.259
flat angles C4'-P-C4' energy: -133.586
flat angles P-C4'-P energy: -83.443
tors. eta vs tors. theta energy: -16.921
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: 9, replica: 4
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -862.646631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.646631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.646631 (E_RNA)
where:
Base-Base interactions energy: -403.709
where: short stacking energy: -248.803
Base-Backbone interact. energy: -0.135
local terms energy: -458.802889
where:
bonds (distance) C4'-P energy: -145.528
bonds (distance) P-C4' energy: -161.730
flat angles C4'-P-C4' energy: -107.160
flat angles P-C4'-P energy: -53.009
tors. eta vs tors. theta energy: 8.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -685.402288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.402288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.402288 (E_RNA)
where:
Base-Base interactions energy: -253.758
where: short stacking energy: -191.786
Base-Backbone interact. energy: 9.460
local terms energy: -441.103982
where:
bonds (distance) C4'-P energy: -143.782
bonds (distance) P-C4' energy: -155.787
flat angles C4'-P-C4' energy: -104.997
flat angles P-C4'-P energy: -74.907
tors. eta vs tors. theta energy: 38.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -2798.427330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2798.427330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2798.427330 (E_RNA)
where:
Base-Base interactions energy: -1901.254
where: short stacking energy: -823.123
Base-Backbone interact. energy: -4.271
local terms energy: -892.902621
where:
bonds (distance) C4'-P energy: -184.551
bonds (distance) P-C4' energy: -168.555
flat angles C4'-P-C4' energy: -192.706
flat angles P-C4'-P energy: -106.258
tors. eta vs tors. theta energy: -240.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -2618.854362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2618.854362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2618.854362 (E_RNA)
where:
Base-Base interactions energy: -1741.279
where: short stacking energy: -813.315
Base-Backbone interact. energy: -0.427
local terms energy: -877.149161
where:
bonds (distance) C4'-P energy: -176.338
bonds (distance) P-C4' energy: -167.028
flat angles C4'-P-C4' energy: -203.980
flat angles P-C4'-P energy: -110.573
tors. eta vs tors. theta energy: -219.231
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: 3, replica: 5
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -2487.629082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2487.629082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2487.629082 (E_RNA)
where:
Base-Base interactions energy: -1628.735
where: short stacking energy: -721.527
Base-Backbone interact. energy: -4.309
local terms energy: -854.584911
where:
bonds (distance) C4'-P energy: -166.653
bonds (distance) P-C4' energy: -173.424
flat angles C4'-P-C4' energy: -169.761
flat angles P-C4'-P energy: -123.190
tors. eta vs tors. theta energy: -221.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -2234.588445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.588445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2234.588445 (E_RNA)
where:
Base-Base interactions energy: -1459.504
where: short stacking energy: -664.059
Base-Backbone interact. energy: 3.860
local terms energy: -778.944394
where:
bonds (distance) C4'-P energy: -173.787
bonds (distance) P-C4' energy: -158.256
flat angles C4'-P-C4' energy: -182.267
flat angles P-C4'-P energy: -88.946
tors. eta vs tors. theta energy: -175.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -2224.338029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2224.338029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2224.338029 (E_RNA)
where:
Base-Base interactions energy: -1423.648
where: short stacking energy: -620.457
Base-Backbone interact. energy: -0.240
local terms energy: -800.449958
where:
bonds (distance) C4'-P energy: -159.381
bonds (distance) P-C4' energy: -168.021
flat angles C4'-P-C4' energy: -169.947
flat angles P-C4'-P energy: -118.893
tors. eta vs tors. theta energy: -184.207
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: 1
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -1672.403623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.403623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.403623 (E_RNA)
where:
Base-Base interactions energy: -1029.496
where: short stacking energy: -464.589
Base-Backbone interact. energy: 5.327
local terms energy: -648.233856
where:
bonds (distance) C4'-P energy: -149.436
bonds (distance) P-C4' energy: -150.005
flat angles C4'-P-C4' energy: -153.867
flat angles P-C4'-P energy: -96.430
tors. eta vs tors. theta energy: -98.494
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: 2
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -1239.942840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.942840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.942840 (E_RNA)
where:
Base-Base interactions energy: -648.426
where: short stacking energy: -372.027
Base-Backbone interact. energy: 0.745
local terms energy: -592.261167
where:
bonds (distance) C4'-P energy: -143.144
bonds (distance) P-C4' energy: -171.622
flat angles C4'-P-C4' energy: -124.264
flat angles P-C4'-P energy: -102.540
tors. eta vs tors. theta energy: -50.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -1025.760375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.760375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.760375 (E_RNA)
where:
Base-Base interactions energy: -496.667
where: short stacking energy: -264.761
Base-Backbone interact. energy: -0.407
local terms energy: -528.686573
where:
bonds (distance) C4'-P energy: -131.103
bonds (distance) P-C4' energy: -164.457
flat angles C4'-P-C4' energy: -139.058
flat angles P-C4'-P energy: -92.408
tors. eta vs tors. theta energy: -1.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -928.751133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.751133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.751133 (E_RNA)
where:
Base-Base interactions energy: -469.437
where: short stacking energy: -289.723
Base-Backbone interact. energy: 0.573
local terms energy: -459.886499
where:
bonds (distance) C4'-P energy: -135.702
bonds (distance) P-C4' energy: -139.185
flat angles C4'-P-C4' energy: -119.667
flat angles P-C4'-P energy: -66.733
tors. eta vs tors. theta energy: 1.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -713.636285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.636285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.636285 (E_RNA)
where:
Base-Base interactions energy: -284.943
where: short stacking energy: -206.924
Base-Backbone interact. energy: 4.566
local terms energy: -433.259099
where:
bonds (distance) C4'-P energy: -143.482
bonds (distance) P-C4' energy: -136.238
flat angles C4'-P-C4' energy: -120.602
flat angles P-C4'-P energy: -74.223
tors. eta vs tors. theta energy: 41.286
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: 1, replica: 3
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -2826.120143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2826.120143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2826.120143 (E_RNA)
where:
Base-Base interactions energy: -1905.512
where: short stacking energy: -828.114
Base-Backbone interact. energy: -2.559
local terms energy: -918.048917
where:
bonds (distance) C4'-P energy: -167.460
bonds (distance) P-C4' energy: -180.275
flat angles C4'-P-C4' energy: -190.165
flat angles P-C4'-P energy: -142.035
tors. eta vs tors. theta energy: -238.113
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: 5
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -2599.757381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2599.757381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2599.757381 (E_RNA)
where:
Base-Base interactions energy: -1758.811
where: short stacking energy: -766.629
Base-Backbone interact. energy: 0.245
local terms energy: -841.192109
where:
bonds (distance) C4'-P energy: -154.096
bonds (distance) P-C4' energy: -150.175
flat angles C4'-P-C4' energy: -192.578
flat angles P-C4'-P energy: -125.782
tors. eta vs tors. theta energy: -218.563
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: 10
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -2526.910579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2526.910579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2526.910579 (E_RNA)
where:
Base-Base interactions energy: -1675.792
where: short stacking energy: -756.056
Base-Backbone interact. energy: -4.727
local terms energy: -846.392147
where:
bonds (distance) C4'-P energy: -161.724
bonds (distance) P-C4' energy: -167.616
flat angles C4'-P-C4' energy: -172.633
flat angles P-C4'-P energy: -120.686
tors. eta vs tors. theta energy: -223.733
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: 7
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -2287.727730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2287.727730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2287.727730 (E_RNA)
where:
Base-Base interactions energy: -1512.852
where: short stacking energy: -676.201
Base-Backbone interact. energy: -1.987
local terms energy: -772.888741
where:
bonds (distance) C4'-P energy: -156.950
bonds (distance) P-C4' energy: -173.399
flat angles C4'-P-C4' energy: -157.964
flat angles P-C4'-P energy: -112.678
tors. eta vs tors. theta energy: -171.897
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: 6
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -2088.243381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.243381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.243381 (E_RNA)
where:
Base-Base interactions energy: -1324.168
where: short stacking energy: -583.958
Base-Backbone interact. energy: 5.715
local terms energy: -769.790784
where:
bonds (distance) C4'-P energy: -167.194
bonds (distance) P-C4' energy: -181.270
flat angles C4'-P-C4' energy: -173.877
flat angles P-C4'-P energy: -97.826
tors. eta vs tors. theta energy: -149.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -1691.341493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.341493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.341493 (E_RNA)
where:
Base-Base interactions energy: -1057.501
where: short stacking energy: -452.650
Base-Backbone interact. energy: 4.065
local terms energy: -637.905959
where:
bonds (distance) C4'-P energy: -163.922
bonds (distance) P-C4' energy: -152.869
flat angles C4'-P-C4' energy: -134.342
flat angles P-C4'-P energy: -94.141
tors. eta vs tors. theta energy: -92.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -1263.453291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.453291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.453291 (E_RNA)
where:
Base-Base interactions energy: -694.432
where: short stacking energy: -367.758
Base-Backbone interact. energy: -1.355
local terms energy: -567.666292
where:
bonds (distance) C4'-P energy: -149.783
bonds (distance) P-C4' energy: -159.463
flat angles C4'-P-C4' energy: -138.837
flat angles P-C4'-P energy: -74.666
tors. eta vs tors. theta energy: -44.916
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: 8
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -1023.732253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.732253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.732253 (E_RNA)
where:
Base-Base interactions energy: -523.547
where: short stacking energy: -290.185
Base-Backbone interact. energy: 3.177
local terms energy: -503.362426
where:
bonds (distance) C4'-P energy: -144.877
bonds (distance) P-C4' energy: -127.150
flat angles C4'-P-C4' energy: -126.541
flat angles P-C4'-P energy: -90.614
tors. eta vs tors. theta energy: -14.180
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: 4
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -886.179018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.179018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.179018 (E_RNA)
where:
Base-Base interactions energy: -357.131
where: short stacking energy: -211.121
Base-Backbone interact. energy: -1.301
local terms energy: -527.747054
where:
bonds (distance) C4'-P energy: -159.530
bonds (distance) P-C4' energy: -167.857
flat angles C4'-P-C4' energy: -130.543
flat angles P-C4'-P energy: -78.068
tors. eta vs tors. theta energy: 8.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -666.158335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.158335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.158335 (E_RNA)
where:
Base-Base interactions energy: -214.525
where: short stacking energy: -186.908
Base-Backbone interact. energy: 4.534
local terms energy: -456.166752
where:
bonds (distance) C4'-P energy: -133.222
bonds (distance) P-C4' energy: -154.985
flat angles C4'-P-C4' energy: -111.697
flat angles P-C4'-P energy: -82.950
tors. eta vs tors. theta energy: 26.688
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: 92
Temperature: 0.900000
Total energy: -2851.364388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2851.364388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2851.364388 (E_RNA)
where:
Base-Base interactions energy: -1938.350
where: short stacking energy: -826.078
Base-Backbone interact. energy: -4.207
local terms energy: -908.807432
where:
bonds (distance) C4'-P energy: -179.006
bonds (distance) P-C4' energy: -181.133
flat angles C4'-P-C4' energy: -194.054
flat angles P-C4'-P energy: -126.435
tors. eta vs tors. theta energy: -228.180
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: 5
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -2636.134091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2636.134091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2636.134091 (E_RNA)
where:
Base-Base interactions energy: -1754.682
where: short stacking energy: -758.125
Base-Backbone interact. energy: 2.462
local terms energy: -883.914320
where:
bonds (distance) C4'-P energy: -159.723
bonds (distance) P-C4' energy: -168.029
flat angles C4'-P-C4' energy: -197.174
flat angles P-C4'-P energy: -133.278
tors. eta vs tors. theta energy: -225.711
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: 10
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -2549.272681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2549.272681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2549.272681 (E_RNA)
where:
Base-Base interactions energy: -1684.847
where: short stacking energy: -781.917
Base-Backbone interact. energy: -4.545
local terms energy: -859.880064
where:
bonds (distance) C4'-P energy: -186.976
bonds (distance) P-C4' energy: -165.827
flat angles C4'-P-C4' energy: -187.680
flat angles P-C4'-P energy: -97.714
tors. eta vs tors. theta energy: -221.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -2315.448486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2315.448486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2315.448486 (E_RNA)
where:
Base-Base interactions energy: -1507.641
where: short stacking energy: -660.900
Base-Backbone interact. energy: -0.316
local terms energy: -807.491782
where:
bonds (distance) C4'-P energy: -143.210
bonds (distance) P-C4' energy: -183.000
flat angles C4'-P-C4' energy: -186.237
flat angles P-C4'-P energy: -114.715
tors. eta vs tors. theta energy: -180.330
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: 5, replica: 6
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -2127.026623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2127.026623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.026623 (E_RNA)
where:
Base-Base interactions energy: -1382.047
where: short stacking energy: -627.775
Base-Backbone interact. energy: 3.431
local terms energy: -748.411047
where:
bonds (distance) C4'-P energy: -142.297
bonds (distance) P-C4' energy: -167.117
flat angles C4'-P-C4' energy: -172.109
flat angles P-C4'-P energy: -102.117
tors. eta vs tors. theta energy: -164.770
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: 1
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -1755.080366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.080366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.080366 (E_RNA)
where:
Base-Base interactions energy: -1083.680
where: short stacking energy: -521.204
Base-Backbone interact. energy: 1.724
local terms energy: -673.124393
where:
bonds (distance) C4'-P energy: -148.181
bonds (distance) P-C4' energy: -163.355
flat angles C4'-P-C4' energy: -157.386
flat angles P-C4'-P energy: -98.244
tors. eta vs tors. theta energy: -105.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -1234.795089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.795089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.795089 (E_RNA)
where:
Base-Base interactions energy: -615.113
where: short stacking energy: -334.860
Base-Backbone interact. energy: -0.727
local terms energy: -618.954938
where:
bonds (distance) C4'-P energy: -149.877
bonds (distance) P-C4' energy: -158.158
flat angles C4'-P-C4' energy: -162.222
flat angles P-C4'-P energy: -103.555
tors. eta vs tors. theta energy: -45.142
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: 8
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -1023.573470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.573470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.573470 (E_RNA)
where:
Base-Base interactions energy: -493.654
where: short stacking energy: -283.305
Base-Backbone interact. energy: 0.995
local terms energy: -530.914721
where:
bonds (distance) C4'-P energy: -132.561
bonds (distance) P-C4' energy: -153.883
flat angles C4'-P-C4' energy: -135.529
flat angles P-C4'-P energy: -99.720
tors. eta vs tors. theta energy: -9.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -861.698490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.698490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.698490 (E_RNA)
where:
Base-Base interactions energy: -364.508
where: short stacking energy: -206.706
Base-Backbone interact. energy: -2.087
local terms energy: -495.102987
where:
bonds (distance) C4'-P energy: -147.261
bonds (distance) P-C4' energy: -173.019
flat angles C4'-P-C4' energy: -118.416
flat angles P-C4'-P energy: -79.755
tors. eta vs tors. theta energy: 23.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -712.698939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.698939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.698939 (E_RNA)
where:
Base-Base interactions energy: -267.277
where: short stacking energy: -189.464
Base-Backbone interact. energy: 3.608
local terms energy: -449.029769
where:
bonds (distance) C4'-P energy: -142.963
bonds (distance) P-C4' energy: -145.643
flat angles C4'-P-C4' energy: -109.833
flat angles P-C4'-P energy: -79.501
tors. eta vs tors. theta energy: 28.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -2861.263604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2861.263604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2861.263604 (E_RNA)
where:
Base-Base interactions energy: -1910.159
where: short stacking energy: -817.441
Base-Backbone interact. energy: 0.210
local terms energy: -951.315258
where:
bonds (distance) C4'-P energy: -177.252
bonds (distance) P-C4' energy: -203.171
flat angles C4'-P-C4' energy: -208.613
flat angles P-C4'-P energy: -129.699
tors. eta vs tors. theta energy: -232.580
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: 5
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -2659.373178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2659.373178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2659.373178 (E_RNA)
where:
Base-Base interactions energy: -1783.126
where: short stacking energy: -785.334
Base-Backbone interact. energy: -1.504
local terms energy: -874.743954
where:
bonds (distance) C4'-P energy: -174.874
bonds (distance) P-C4' energy: -172.155
flat angles C4'-P-C4' energy: -183.046
flat angles P-C4'-P energy: -109.805
tors. eta vs tors. theta energy: -234.864
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: 10
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -2519.054300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2519.054300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2519.054300 (E_RNA)
where:
Base-Base interactions energy: -1672.908
where: short stacking energy: -756.771
Base-Backbone interact. energy: -1.734
local terms energy: -844.412272
where:
bonds (distance) C4'-P energy: -160.675
bonds (distance) P-C4' energy: -162.924
flat angles C4'-P-C4' energy: -179.161
flat angles P-C4'-P energy: -124.633
tors. eta vs tors. theta energy: -217.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -2310.966818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2310.966818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.966818 (E_RNA)
where:
Base-Base interactions energy: -1502.947
where: short stacking energy: -664.275
Base-Backbone interact. energy: -3.415
local terms energy: -804.604999
where:
bonds (distance) C4'-P energy: -164.634
bonds (distance) P-C4' energy: -172.469
flat angles C4'-P-C4' energy: -174.300
flat angles P-C4'-P energy: -112.088
tors. eta vs tors. theta energy: -181.113
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: 6
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -2146.334280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.334280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2146.334280 (E_RNA)
where:
Base-Base interactions energy: -1375.355
where: short stacking energy: -596.583
Base-Backbone interact. energy: -1.685
local terms energy: -769.294368
where:
bonds (distance) C4'-P energy: -172.779
bonds (distance) P-C4' energy: -169.900
flat angles C4'-P-C4' energy: -170.901
flat angles P-C4'-P energy: -111.813
tors. eta vs tors. theta energy: -143.901
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: 1
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -1684.011462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.011462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.011462 (E_RNA)
where:
Base-Base interactions energy: -1038.218
where: short stacking energy: -517.447
Base-Backbone interact. energy: -1.683
local terms energy: -644.110395
where:
bonds (distance) C4'-P energy: -156.448
bonds (distance) P-C4' energy: -148.073
flat angles C4'-P-C4' energy: -147.894
flat angles P-C4'-P energy: -86.747
tors. eta vs tors. theta energy: -104.949
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: 7, replica: 2
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -1240.694177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.694177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.694177 (E_RNA)
where:
Base-Base interactions energy: -707.640
where: short stacking energy: -373.580
Base-Backbone interact. energy: 4.474
local terms energy: -537.529048
where:
bonds (distance) C4'-P energy: -148.964
bonds (distance) P-C4' energy: -148.237
flat angles C4'-P-C4' energy: -113.480
flat angles P-C4'-P energy: -96.164
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: 8, replica: 8
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -1121.119331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.119331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.119331 (E_RNA)
where:
Base-Base interactions energy: -576.696
where: short stacking energy: -321.390
Base-Backbone interact. energy: 2.403
local terms energy: -546.826333
where:
bonds (distance) C4'-P energy: -154.136
bonds (distance) P-C4' energy: -147.783
flat angles C4'-P-C4' energy: -129.756
flat angles P-C4'-P energy: -78.960
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: 9, replica: 4
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -876.965319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.965319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.965319 (E_RNA)
where:
Base-Base interactions energy: -379.261
where: short stacking energy: -224.756
Base-Backbone interact. energy: 1.850
local terms energy: -499.553925
where:
bonds (distance) C4'-P energy: -136.770
bonds (distance) P-C4' energy: -151.488
flat angles C4'-P-C4' energy: -125.258
flat angles P-C4'-P energy: -88.016
tors. eta vs tors. theta energy: 1.978
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: 10, replica: 9
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -685.811598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.811598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.811598 (E_RNA)
where:
Base-Base interactions energy: -253.391
where: short stacking energy: -192.038
Base-Backbone interact. energy: 0.569
local terms energy: -432.989579
where:
bonds (distance) C4'-P energy: -157.780
bonds (distance) P-C4' energy: -143.329
flat angles C4'-P-C4' energy: -105.965
flat angles P-C4'-P energy: -53.418
tors. eta vs tors. theta energy: 27.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -2848.330275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2848.330275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2848.330275 (E_RNA)
where:
Base-Base interactions energy: -1933.430
where: short stacking energy: -814.421
Base-Backbone interact. energy: -4.267
local terms energy: -910.633398
where:
bonds (distance) C4'-P energy: -180.886
bonds (distance) P-C4' energy: -182.990
flat angles C4'-P-C4' energy: -190.982
flat angles P-C4'-P energy: -128.883
tors. eta vs tors. theta energy: -226.892
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: 5
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -2673.791359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2673.791359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2673.791359 (E_RNA)
where:
Base-Base interactions energy: -1783.615
where: short stacking energy: -773.305
Base-Backbone interact. energy: -1.512
local terms energy: -888.664677
where:
bonds (distance) C4'-P energy: -162.331
bonds (distance) P-C4' energy: -174.095
flat angles C4'-P-C4' energy: -190.458
flat angles P-C4'-P energy: -135.757
tors. eta vs tors. theta energy: -226.024
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: 94
Temperature: 1.000000
Total energy: -2501.090293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2501.090293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2501.090293 (E_RNA)
where:
Base-Base interactions energy: -1625.922
where: short stacking energy: -716.698
Base-Backbone interact. energy: 0.891
local terms energy: -876.058955
where:
bonds (distance) C4'-P energy: -165.959
bonds (distance) P-C4' energy: -180.672
flat angles C4'-P-C4' energy: -181.578
flat angles P-C4'-P energy: -127.930
tors. eta vs tors. theta energy: -219.919
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: 4, replica: 7
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -2297.440636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.440636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.440636 (E_RNA)
where:
Base-Base interactions energy: -1500.162
where: short stacking energy: -676.524
Base-Backbone interact. energy: -1.825
local terms energy: -795.453707
where:
bonds (distance) C4'-P energy: -165.282
bonds (distance) P-C4' energy: -174.089
flat angles C4'-P-C4' energy: -169.763
flat angles P-C4'-P energy: -109.132
tors. eta vs tors. theta energy: -177.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -2097.609628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.609628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.609628 (E_RNA)
where:
Base-Base interactions energy: -1333.375
where: short stacking energy: -579.134
Base-Backbone interact. energy: -0.196
local terms energy: -764.038482
where:
bonds (distance) C4'-P energy: -154.264
bonds (distance) P-C4' energy: -177.022
flat angles C4'-P-C4' energy: -170.189
flat angles P-C4'-P energy: -119.025
tors. eta vs tors. theta energy: -143.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -1696.713289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.713289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.713289 (E_RNA)
where:
Base-Base interactions energy: -1060.729
where: short stacking energy: -499.830
Base-Backbone interact. energy: 1.397
local terms energy: -637.381167
where:
bonds (distance) C4'-P energy: -144.545
bonds (distance) P-C4' energy: -146.170
flat angles C4'-P-C4' energy: -151.460
flat angles P-C4'-P energy: -94.631
tors. eta vs tors. theta energy: -100.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -1253.563613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.563613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.563613 (E_RNA)
where:
Base-Base interactions energy: -699.417
where: short stacking energy: -363.206
Base-Backbone interact. energy: -0.527
local terms energy: -553.618809
where:
bonds (distance) C4'-P energy: -128.654
bonds (distance) P-C4' energy: -150.567
flat angles C4'-P-C4' energy: -144.417
flat angles P-C4'-P energy: -83.085
tors. eta vs tors. theta energy: -46.897
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: 8
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -1134.025254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.025254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.025254 (E_RNA)
where:
Base-Base interactions energy: -609.982
where: short stacking energy: -327.544
Base-Backbone interact. energy: -1.745
local terms energy: -522.298826
where:
bonds (distance) C4'-P energy: -140.158
bonds (distance) P-C4' energy: -167.684
flat angles C4'-P-C4' energy: -114.067
flat angles P-C4'-P energy: -76.498
tors. eta vs tors. theta energy: -23.891
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: 9, replica: 4
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -870.578257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.578257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.578257 (E_RNA)
where:
Base-Base interactions energy: -402.874
where: short stacking energy: -217.654
Base-Backbone interact. energy: -0.581
local terms energy: -467.123271
where:
bonds (distance) C4'-P energy: -145.337
bonds (distance) P-C4' energy: -123.347
flat angles C4'-P-C4' energy: -114.340
flat angles P-C4'-P energy: -99.882
tors. eta vs tors. theta energy: 15.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -666.282622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.282622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.282622 (E_RNA)
where:
Base-Base interactions energy: -230.717
where: short stacking energy: -191.941
Base-Backbone interact. energy: 0.794
local terms energy: -436.359837
where:
bonds (distance) C4'-P energy: -152.033
bonds (distance) P-C4' energy: -162.118
flat angles C4'-P-C4' energy: -101.824
flat angles P-C4'-P energy: -47.837
tors. eta vs tors. theta energy: 27.452
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: 3
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -2881.497512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2881.497512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2881.497512 (E_RNA)
where:
Base-Base interactions energy: -1929.226
where: short stacking energy: -809.337
Base-Backbone interact. energy: -3.857
local terms energy: -948.414549
where:
bonds (distance) C4'-P energy: -194.927
bonds (distance) P-C4' energy: -182.066
flat angles C4'-P-C4' energy: -211.993
flat angles P-C4'-P energy: -132.851
tors. eta vs tors. theta energy: -226.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -2637.532980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2637.532980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2637.532980 (E_RNA)
where:
Base-Base interactions energy: -1756.292
where: short stacking energy: -770.673
Base-Backbone interact. energy: 2.882
local terms energy: -884.123119
where:
bonds (distance) C4'-P energy: -173.686
bonds (distance) P-C4' energy: -183.821
flat angles C4'-P-C4' energy: -191.986
flat angles P-C4'-P energy: -105.475
tors. eta vs tors. theta energy: -229.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -2490.744932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2490.744932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2490.744932 (E_RNA)
where:
Base-Base interactions energy: -1665.009
where: short stacking energy: -738.017
Base-Backbone interact. energy: 0.274
local terms energy: -826.009922
where:
bonds (distance) C4'-P energy: -151.193
bonds (distance) P-C4' energy: -149.273
flat angles C4'-P-C4' energy: -183.779
flat angles P-C4'-P energy: -119.293
tors. eta vs tors. theta energy: -222.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -2334.649361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2334.649361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2334.649361 (E_RNA)
where:
Base-Base interactions energy: -1521.000
where: short stacking energy: -671.057
Base-Backbone interact. energy: 5.250
local terms energy: -818.899788
where:
bonds (distance) C4'-P energy: -179.770
bonds (distance) P-C4' energy: -170.117
flat angles C4'-P-C4' energy: -177.868
flat angles P-C4'-P energy: -107.762
tors. eta vs tors. theta energy: -183.383
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: 95
Temperature: 1.100000
Total energy: -2136.441966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.441966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.441966 (E_RNA)
where:
Base-Base interactions energy: -1366.610
where: short stacking energy: -626.023
Base-Backbone interact. energy: -1.411
local terms energy: -768.420363
where:
bonds (distance) C4'-P energy: -158.860
bonds (distance) P-C4' energy: -167.716
flat angles C4'-P-C4' energy: -163.490
flat angles P-C4'-P energy: -104.206
tors. eta vs tors. theta energy: -174.148
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: 1
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -1722.926379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.926379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.926379 (E_RNA)
where:
Base-Base interactions energy: -1053.302
where: short stacking energy: -521.052
Base-Backbone interact. energy: -3.954
local terms energy: -665.669806
where:
bonds (distance) C4'-P energy: -129.739
bonds (distance) P-C4' energy: -165.620
flat angles C4'-P-C4' energy: -152.493
flat angles P-C4'-P energy: -107.760
tors. eta vs tors. theta energy: -110.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -1232.608722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.608722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.608722 (E_RNA)
where:
Base-Base interactions energy: -652.400
where: short stacking energy: -337.148
Base-Backbone interact. energy: -3.003
local terms energy: -577.206352
where:
bonds (distance) C4'-P energy: -151.468
bonds (distance) P-C4' energy: -150.812
flat angles C4'-P-C4' energy: -149.744
flat angles P-C4'-P energy: -101.045
tors. eta vs tors. theta energy: -24.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -1125.205125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.205125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.205125 (E_RNA)
where:
Base-Base interactions energy: -583.691
where: short stacking energy: -334.415
Base-Backbone interact. energy: 1.297
local terms energy: -542.810877
where:
bonds (distance) C4'-P energy: -134.266
bonds (distance) P-C4' energy: -135.199
flat angles C4'-P-C4' energy: -135.563
flat angles P-C4'-P energy: -105.962
tors. eta vs tors. theta energy: -31.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -841.418255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.418255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.418255 (E_RNA)
where:
Base-Base interactions energy: -370.864
where: short stacking energy: -230.931
Base-Backbone interact. energy: -1.922
local terms energy: -468.631588
where:
bonds (distance) C4'-P energy: -142.133
bonds (distance) P-C4' energy: -143.948
flat angles C4'-P-C4' energy: -125.363
flat angles P-C4'-P energy: -51.495
tors. eta vs tors. theta energy: -5.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -645.046153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.046153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.046153 (E_RNA)
where:
Base-Base interactions energy: -223.715
where: short stacking energy: -194.664
Base-Backbone interact. energy: 3.451
local terms energy: -424.782742
where:
bonds (distance) C4'-P energy: -121.970
bonds (distance) P-C4' energy: -153.708
flat angles C4'-P-C4' energy: -108.139
flat angles P-C4'-P energy: -71.304
tors. eta vs tors. theta energy: 30.338
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: 3
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -2843.938237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2843.938237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2843.938237 (E_RNA)
where:
Base-Base interactions energy: -1940.798
where: short stacking energy: -816.679
Base-Backbone interact. energy: -4.121
local terms energy: -899.019590
where:
bonds (distance) C4'-P energy: -174.800
bonds (distance) P-C4' energy: -187.613
flat angles C4'-P-C4' energy: -186.879
flat angles P-C4'-P energy: -126.737
tors. eta vs tors. theta energy: -222.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -2656.723611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2656.723611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2656.723611 (E_RNA)
where:
Base-Base interactions energy: -1752.063
where: short stacking energy: -769.331
Base-Backbone interact. energy: -1.434
local terms energy: -903.528214
where:
bonds (distance) C4'-P energy: -177.723
bonds (distance) P-C4' energy: -175.197
flat angles C4'-P-C4' energy: -189.326
flat angles P-C4'-P energy: -130.457
tors. eta vs tors. theta energy: -230.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.301 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -2467.316398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2467.316398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2467.316398 (E_RNA)
where:
Base-Base interactions energy: -1601.497
where: short stacking energy: -699.119
Base-Backbone interact. energy: -5.490
local terms energy: -860.329727
where:
bonds (distance) C4'-P energy: -177.615
bonds (distance) P-C4' energy: -180.086
flat angles C4'-P-C4' energy: -190.749
flat angles P-C4'-P energy: -117.699
tors. eta vs tors. theta energy: -194.180
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: 7
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -2266.290230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2266.290230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2266.290230 (E_RNA)
where:
Base-Base interactions energy: -1451.738
where: short stacking energy: -642.171
Base-Backbone interact. energy: -2.285
local terms energy: -812.267300
where:
bonds (distance) C4'-P energy: -173.028
bonds (distance) P-C4' energy: -156.280
flat angles C4'-P-C4' energy: -184.691
flat angles P-C4'-P energy: -118.519
tors. eta vs tors. theta energy: -179.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -2067.559796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2067.559796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2067.559796 (E_RNA)
where:
Base-Base interactions energy: -1354.244
where: short stacking energy: -609.135
Base-Backbone interact. energy: 0.627
local terms energy: -713.943042
where:
bonds (distance) C4'-P energy: -139.355
bonds (distance) P-C4' energy: -158.477
flat angles C4'-P-C4' energy: -171.947
flat angles P-C4'-P energy: -89.666
tors. eta vs tors. theta energy: -154.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -1797.864551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.864551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.864551 (E_RNA)
where:
Base-Base interactions energy: -1112.186
where: short stacking energy: -513.657
Base-Backbone interact. energy: -1.412
local terms energy: -684.266730
where:
bonds (distance) C4'-P energy: -153.185
bonds (distance) P-C4' energy: -168.098
flat angles C4'-P-C4' energy: -162.170
flat angles P-C4'-P energy: -89.118
tors. eta vs tors. theta energy: -111.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -1184.688802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.688802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.688802 (E_RNA)
where:
Base-Base interactions energy: -600.799
where: short stacking energy: -342.634
Base-Backbone interact. energy: -3.183
local terms energy: -580.706503
where:
bonds (distance) C4'-P energy: -147.873
bonds (distance) P-C4' energy: -168.712
flat angles C4'-P-C4' energy: -151.134
flat angles P-C4'-P energy: -77.453
tors. eta vs tors. theta energy: -35.535
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: 2
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -1181.220888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.220888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.220888 (E_RNA)
where:
Base-Base interactions energy: -641.627
where: short stacking energy: -353.602
Base-Backbone interact. energy: -2.268
local terms energy: -537.325889
where:
bonds (distance) C4'-P energy: -107.922
bonds (distance) P-C4' energy: -165.432
flat angles C4'-P-C4' energy: -144.444
flat angles P-C4'-P energy: -81.842
tors. eta vs tors. theta energy: -37.686
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: 4
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -847.785630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.785630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.785630 (E_RNA)
where:
Base-Base interactions energy: -389.978
where: short stacking energy: -239.035
Base-Backbone interact. energy: 4.340
local terms energy: -462.147505
where:
bonds (distance) C4'-P energy: -147.318
bonds (distance) P-C4' energy: -150.829
flat angles C4'-P-C4' energy: -146.891
flat angles P-C4'-P energy: -51.702
tors. eta vs tors. theta energy: 34.593
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: 9
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -663.265659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.265659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.265659 (E_RNA)
where:
Base-Base interactions energy: -208.488
where: short stacking energy: -167.600
Base-Backbone interact. energy: 8.724
local terms energy: -463.501084
where:
bonds (distance) C4'-P energy: -150.150
bonds (distance) P-C4' energy: -162.674
flat angles C4'-P-C4' energy: -115.839
flat angles P-C4'-P energy: -62.253
tors. eta vs tors. theta energy: 27.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -2865.331240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2865.331240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2865.331240 (E_RNA)
where:
Base-Base interactions energy: -1927.557
where: short stacking energy: -793.286
Base-Backbone interact. energy: -4.933
local terms energy: -932.840742
where:
bonds (distance) C4'-P energy: -177.895
bonds (distance) P-C4' energy: -183.309
flat angles C4'-P-C4' energy: -206.085
flat angles P-C4'-P energy: -129.997
tors. eta vs tors. theta energy: -235.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -2652.887283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2652.887283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2652.887283 (E_RNA)
where:
Base-Base interactions energy: -1778.883
where: short stacking energy: -809.681
Base-Backbone interact. energy: -4.205
local terms energy: -869.799349
where:
bonds (distance) C4'-P energy: -159.861
bonds (distance) P-C4' energy: -166.343
flat angles C4'-P-C4' energy: -183.276
flat angles P-C4'-P energy: -131.205
tors. eta vs tors. theta energy: -229.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -2487.716943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2487.716943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2487.716943 (E_RNA)
where:
Base-Base interactions energy: -1640.274
where: short stacking energy: -734.613
Base-Backbone interact. energy: -2.725
local terms energy: -844.717322
where:
bonds (distance) C4'-P energy: -179.511
bonds (distance) P-C4' energy: -164.248
flat angles C4'-P-C4' energy: -176.990
flat angles P-C4'-P energy: -114.322
tors. eta vs tors. theta energy: -209.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -2249.193905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2249.193905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2249.193905 (E_RNA)
where:
Base-Base interactions energy: -1444.259
where: short stacking energy: -637.200
Base-Backbone interact. energy: 4.246
local terms energy: -809.180339
where:
bonds (distance) C4'-P energy: -169.614
bonds (distance) P-C4' energy: -161.794
flat angles C4'-P-C4' energy: -179.398
flat angles P-C4'-P energy: -120.681
tors. eta vs tors. theta energy: -177.694
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: 6
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -2061.089621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.089621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.089621 (E_RNA)
where:
Base-Base interactions energy: -1306.322
where: short stacking energy: -605.250
Base-Backbone interact. energy: -1.352
local terms energy: -753.415303
where:
bonds (distance) C4'-P energy: -143.530
bonds (distance) P-C4' energy: -174.870
flat angles C4'-P-C4' energy: -178.555
flat angles P-C4'-P energy: -102.906
tors. eta vs tors. theta energy: -153.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -1830.897803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.897803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.897803 (E_RNA)
where:
Base-Base interactions energy: -1121.315
where: short stacking energy: -521.745
Base-Backbone interact. energy: -1.704
local terms energy: -707.879041
where:
bonds (distance) C4'-P energy: -161.562
bonds (distance) P-C4' energy: -159.180
flat angles C4'-P-C4' energy: -158.906
flat angles P-C4'-P energy: -105.752
tors. eta vs tors. theta energy: -122.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -1219.562031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.562031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.562031 (E_RNA)
where:
Base-Base interactions energy: -668.207
where: short stacking energy: -380.623
Base-Backbone interact. energy: -0.844
local terms energy: -550.510850
where:
bonds (distance) C4'-P energy: -139.008
bonds (distance) P-C4' energy: -153.053
flat angles C4'-P-C4' energy: -127.620
flat angles P-C4'-P energy: -83.051
tors. eta vs tors. theta energy: -47.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -1187.608624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.608624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.608624 (E_RNA)
where:
Base-Base interactions energy: -615.331
where: short stacking energy: -334.767
Base-Backbone interact. energy: -1.041
local terms energy: -571.236928
where:
bonds (distance) C4'-P energy: -157.555
bonds (distance) P-C4' energy: -169.972
flat angles C4'-P-C4' energy: -136.093
flat angles P-C4'-P energy: -81.386
tors. eta vs tors. theta energy: -26.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -858.296876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.296876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.296876 (E_RNA)
where:
Base-Base interactions energy: -355.170
where: short stacking energy: -220.323
Base-Backbone interact. energy: 0.814
local terms energy: -503.941431
where:
bonds (distance) C4'-P energy: -128.881
bonds (distance) P-C4' energy: -158.576
flat angles C4'-P-C4' energy: -150.716
flat angles P-C4'-P energy: -84.294
tors. eta vs tors. theta energy: 18.526
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: 97
Temperature: 1.350000
Total energy: -712.317401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.317401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.317401 (E_RNA)
where:
Base-Base interactions energy: -257.918
where: short stacking energy: -194.526
Base-Backbone interact. energy: 1.075
local terms energy: -455.474144
where:
bonds (distance) C4'-P energy: -118.317
bonds (distance) P-C4' energy: -156.509
flat angles C4'-P-C4' energy: -121.579
flat angles P-C4'-P energy: -72.852
tors. eta vs tors. theta energy: 13.783
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: 1, replica: 3
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -2903.130119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2903.130119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2903.130119 (E_RNA)
where:
Base-Base interactions energy: -1972.032
where: short stacking energy: -831.085
Base-Backbone interact. energy: -3.524
local terms energy: -927.574419
where:
bonds (distance) C4'-P energy: -168.648
bonds (distance) P-C4' energy: -176.144
flat angles C4'-P-C4' energy: -202.427
flat angles P-C4'-P energy: -135.136
tors. eta vs tors. theta energy: -245.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -2655.195844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2655.195844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2655.195844 (E_RNA)
where:
Base-Base interactions energy: -1773.229
where: short stacking energy: -804.903
Base-Backbone interact. energy: -5.386
local terms energy: -876.580534
where:
bonds (distance) C4'-P energy: -167.766
bonds (distance) P-C4' energy: -189.193
flat angles C4'-P-C4' energy: -176.056
flat angles P-C4'-P energy: -121.444
tors. eta vs tors. theta energy: -222.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -2483.463413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2483.463413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2483.463413 (E_RNA)
where:
Base-Base interactions energy: -1610.927
where: short stacking energy: -704.631
Base-Backbone interact. energy: 1.875
local terms energy: -874.411513
where:
bonds (distance) C4'-P energy: -172.932
bonds (distance) P-C4' energy: -172.558
flat angles C4'-P-C4' energy: -186.402
flat angles P-C4'-P energy: -129.055
tors. eta vs tors. theta energy: -213.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -2298.013092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.013092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2298.013092 (E_RNA)
where:
Base-Base interactions energy: -1504.893
where: short stacking energy: -651.839
Base-Backbone interact. energy: -1.388
local terms energy: -791.732345
where:
bonds (distance) C4'-P energy: -158.105
bonds (distance) P-C4' energy: -167.850
flat angles C4'-P-C4' energy: -184.936
flat angles P-C4'-P energy: -107.071
tors. eta vs tors. theta energy: -173.770
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: 5, replica: 6
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -2080.575076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.575076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2080.575076 (E_RNA)
where:
Base-Base interactions energy: -1353.748
where: short stacking energy: -584.205
Base-Backbone interact. energy: 3.710
local terms energy: -730.536610
where:
bonds (distance) C4'-P energy: -173.452
bonds (distance) P-C4' energy: -172.174
flat angles C4'-P-C4' energy: -149.252
flat angles P-C4'-P energy: -85.349
tors. eta vs tors. theta energy: -150.309
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: 1
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -1759.898347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.898347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.898347 (E_RNA)
where:
Base-Base interactions energy: -1066.610
where: short stacking energy: -515.393
Base-Backbone interact. energy: -4.564
local terms energy: -688.724496
where:
bonds (distance) C4'-P energy: -173.070
bonds (distance) P-C4' energy: -161.212
flat angles C4'-P-C4' energy: -150.512
flat angles P-C4'-P energy: -89.858
tors. eta vs tors. theta energy: -114.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -1292.973539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.973539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.973539 (E_RNA)
where:
Base-Base interactions energy: -698.326
where: short stacking energy: -399.435
Base-Backbone interact. energy: -4.830
local terms energy: -589.817824
where:
bonds (distance) C4'-P energy: -155.122
bonds (distance) P-C4' energy: -146.388
flat angles C4'-P-C4' energy: -129.152
flat angles P-C4'-P energy: -98.146
tors. eta vs tors. theta energy: -61.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -1157.135996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.135996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.135996 (E_RNA)
where:
Base-Base interactions energy: -584.082
where: short stacking energy: -313.661
Base-Backbone interact. energy: 5.499
local terms energy: -578.553370
where:
bonds (distance) C4'-P energy: -161.897
bonds (distance) P-C4' energy: -149.223
flat angles C4'-P-C4' energy: -159.813
flat angles P-C4'-P energy: -87.299
tors. eta vs tors. theta energy: -20.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -844.191598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.191598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.191598 (E_RNA)
where:
Base-Base interactions energy: -399.260
where: short stacking energy: -269.057
Base-Backbone interact. energy: 0.730
local terms energy: -445.662008
where:
bonds (distance) C4'-P energy: -126.027
bonds (distance) P-C4' energy: -144.428
flat angles C4'-P-C4' energy: -120.988
flat angles P-C4'-P energy: -64.546
tors. eta vs tors. theta energy: 10.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -671.637138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.637138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.637138 (E_RNA)
where:
Base-Base interactions energy: -251.948
where: short stacking energy: -168.442
Base-Backbone interact. energy: -4.063
local terms energy: -415.626632
where:
bonds (distance) C4'-P energy: -132.118
bonds (distance) P-C4' energy: -139.057
flat angles C4'-P-C4' energy: -129.457
flat angles P-C4'-P energy: -55.659
tors. eta vs tors. theta energy: 40.665
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: 3
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -2847.380821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2847.380821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2847.380821 (E_RNA)
where:
Base-Base interactions energy: -1936.380
where: short stacking energy: -782.877
Base-Backbone interact. energy: 2.606
local terms energy: -913.607218
where:
bonds (distance) C4'-P energy: -173.293
bonds (distance) P-C4' energy: -188.164
flat angles C4'-P-C4' energy: -201.500
flat angles P-C4'-P energy: -130.152
tors. eta vs tors. theta energy: -220.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -2655.022702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2655.022702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2655.022702 (E_RNA)
where:
Base-Base interactions energy: -1753.778
where: short stacking energy: -763.363
Base-Backbone interact. energy: -7.265
local terms energy: -893.979457
where:
bonds (distance) C4'-P energy: -166.673
bonds (distance) P-C4' energy: -182.588
flat angles C4'-P-C4' energy: -188.020
flat angles P-C4'-P energy: -129.707
tors. eta vs tors. theta energy: -226.992
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: 99
Temperature: 1.000000
Total energy: -2464.517239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2464.517239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2464.517239 (E_RNA)
where:
Base-Base interactions energy: -1658.406
where: short stacking energy: -743.497
Base-Backbone interact. energy: -2.646
local terms energy: -803.464373
where:
bonds (distance) C4'-P energy: -162.075
bonds (distance) P-C4' energy: -156.985
flat angles C4'-P-C4' energy: -175.835
flat angles P-C4'-P energy: -111.909
tors. eta vs tors. theta energy: -196.660
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: 7
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -2243.992035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2243.992035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2243.992035 (E_RNA)
where:
Base-Base interactions energy: -1439.654
where: short stacking energy: -622.180
Base-Backbone interact. energy: -6.031
local terms energy: -798.307452
where:
bonds (distance) C4'-P energy: -176.545
bonds (distance) P-C4' energy: -170.215
flat angles C4'-P-C4' energy: -168.232
flat angles P-C4'-P energy: -90.262
tors. eta vs tors. theta energy: -193.053
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: 6
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -2041.101561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.101561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.101561 (E_RNA)
where:
Base-Base interactions energy: -1304.655
where: short stacking energy: -620.214
Base-Backbone interact. energy: 0.148
local terms energy: -736.594788
where:
bonds (distance) C4'-P energy: -151.266
bonds (distance) P-C4' energy: -154.385
flat angles C4'-P-C4' energy: -171.973
flat angles P-C4'-P energy: -109.957
tors. eta vs tors. theta energy: -149.013
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: 99
Temperature: 1.150000
Total energy: -1828.293445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.293445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.293445 (E_RNA)
where:
Base-Base interactions energy: -1158.911
where: short stacking energy: -546.635
Base-Backbone interact. energy: 1.991
local terms energy: -671.373788
where:
bonds (distance) C4'-P energy: -148.017
bonds (distance) P-C4' energy: -168.577
flat angles C4'-P-C4' energy: -159.982
flat angles P-C4'-P energy: -77.757
tors. eta vs tors. theta energy: -117.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -1244.049369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.049369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.049369 (E_RNA)
where:
Base-Base interactions energy: -656.733
where: short stacking energy: -341.312
Base-Backbone interact. energy: 1.859
local terms energy: -589.174704
where:
bonds (distance) C4'-P energy: -145.473
bonds (distance) P-C4' energy: -165.556
flat angles C4'-P-C4' energy: -127.438
flat angles P-C4'-P energy: -95.601
tors. eta vs tors. theta energy: -55.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -1212.479548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.479548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.479548 (E_RNA)
where:
Base-Base interactions energy: -659.151
where: short stacking energy: -369.445
Base-Backbone interact. energy: 0.194
local terms energy: -553.522690
where:
bonds (distance) C4'-P energy: -132.872
bonds (distance) P-C4' energy: -158.952
flat angles C4'-P-C4' energy: -152.132
flat angles P-C4'-P energy: -73.315
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: 9, replica: 4
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -946.460558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.460558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.460558 (E_RNA)
where:
Base-Base interactions energy: -473.978
where: short stacking energy: -272.576
Base-Backbone interact. energy: -1.918
local terms energy: -470.564509
where:
bonds (distance) C4'-P energy: -144.814
bonds (distance) P-C4' energy: -139.826
flat angles C4'-P-C4' energy: -125.003
flat angles P-C4'-P energy: -69.729
tors. eta vs tors. theta energy: 8.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -662.017892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.017892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.017892 (E_RNA)
where:
Base-Base interactions energy: -226.134
where: short stacking energy: -209.379
Base-Backbone interact. energy: 0.239
local terms energy: -436.123326
where:
bonds (distance) C4'-P energy: -140.765
bonds (distance) P-C4' energy: -142.096
flat angles C4'-P-C4' energy: -112.343
flat angles P-C4'-P energy: -61.152
tors. eta vs tors. theta energy: 20.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -2874.843730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2874.843730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2874.843730 (E_RNA)
where:
Base-Base interactions energy: -1959.687
where: short stacking energy: -815.431
Base-Backbone interact. energy: -1.879
local terms energy: -913.277533
where:
bonds (distance) C4'-P energy: -178.010
bonds (distance) P-C4' energy: -179.662
flat angles C4'-P-C4' energy: -186.604
flat angles P-C4'-P energy: -133.175
tors. eta vs tors. theta energy: -235.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -2702.538324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2702.538324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2702.538324 (E_RNA)
where:
Base-Base interactions energy: -1815.432
where: short stacking energy: -820.497
Base-Backbone interact. energy: -0.117
local terms energy: -886.988584
where:
bonds (distance) C4'-P energy: -162.372
bonds (distance) P-C4' energy: -158.941
flat angles C4'-P-C4' energy: -197.639
flat angles P-C4'-P energy: -128.679
tors. eta vs tors. theta energy: -239.357
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: 10
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -2499.624744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2499.624744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2499.624744 (E_RNA)
where:
Base-Base interactions energy: -1659.071
where: short stacking energy: -731.163
Base-Backbone interact. energy: -0.876
local terms energy: -839.677617
where:
bonds (distance) C4'-P energy: -163.986
bonds (distance) P-C4' energy: -170.064
flat angles C4'-P-C4' energy: -183.166
flat angles P-C4'-P energy: -119.593
tors. eta vs tors. theta energy: -202.869
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: 7
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -2334.062898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2334.062898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2334.062898 (E_RNA)
where:
Base-Base interactions energy: -1536.328
where: short stacking energy: -691.999
Base-Backbone interact. energy: -2.531
local terms energy: -795.203638
where:
bonds (distance) C4'-P energy: -161.101
bonds (distance) P-C4' energy: -163.110
flat angles C4'-P-C4' energy: -180.355
flat angles P-C4'-P energy: -106.798
tors. eta vs tors. theta energy: -183.840
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: 6
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -2057.985225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.985225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.985225 (E_RNA)
where:
Base-Base interactions energy: -1324.362
where: short stacking energy: -580.314
Base-Backbone interact. energy: -1.610
local terms energy: -732.014001
where:
bonds (distance) C4'-P energy: -161.239
bonds (distance) P-C4' energy: -159.451
flat angles C4'-P-C4' energy: -177.276
flat angles P-C4'-P energy: -95.153
tors. eta vs tors. theta energy: -138.895
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: 1
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -1851.786064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.786064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.786064 (E_RNA)
where:
Base-Base interactions energy: -1133.629
where: short stacking energy: -528.079
Base-Backbone interact. energy: -0.431
local terms energy: -717.725391
where:
bonds (distance) C4'-P energy: -160.150
bonds (distance) P-C4' energy: -171.342
flat angles C4'-P-C4' energy: -174.386
flat angles P-C4'-P energy: -95.751
tors. eta vs tors. theta energy: -116.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -1360.790596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.790596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.790596 (E_RNA)
where:
Base-Base interactions energy: -730.434
where: short stacking energy: -376.879
Base-Backbone interact. energy: -4.552
local terms energy: -625.804429
where:
bonds (distance) C4'-P energy: -146.143
bonds (distance) P-C4' energy: -176.215
flat angles C4'-P-C4' energy: -167.587
flat angles P-C4'-P energy: -79.045
tors. eta vs tors. theta energy: -56.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -1260.468480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.468480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.468480 (E_RNA)
where:
Base-Base interactions energy: -695.357
where: short stacking energy: -363.685
Base-Backbone interact. energy: -4.372
local terms energy: -560.739335
where:
bonds (distance) C4'-P energy: -133.177
bonds (distance) P-C4' energy: -141.162
flat angles C4'-P-C4' energy: -158.870
flat angles P-C4'-P energy: -78.083
tors. eta vs tors. theta energy: -49.446
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: 4
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -926.069080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.069080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.069080 (E_RNA)
where:
Base-Base interactions energy: -456.319
where: short stacking energy: -271.503
Base-Backbone interact. energy: 0.872
local terms energy: -470.621857
where:
bonds (distance) C4'-P energy: -148.060
bonds (distance) P-C4' energy: -150.530
flat angles C4'-P-C4' energy: -115.067
flat angles P-C4'-P energy: -54.944
tors. eta vs tors. theta energy: -2.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -732.497945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.497945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.497945 (E_RNA)
where:
Base-Base interactions energy: -309.397
where: short stacking energy: -219.733
Base-Backbone interact. energy: 6.676
local terms energy: -429.776562
where:
bonds (distance) C4'-P energy: -158.925
bonds (distance) P-C4' energy: -116.388
flat angles C4'-P-C4' energy: -133.312
flat angles P-C4'-P energy: -43.164
tors. eta vs tors. theta energy: 22.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -2866.382899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2866.382899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2866.382899 (E_RNA)
where:
Base-Base interactions energy: -1960.563
where: short stacking energy: -807.687
Base-Backbone interact. energy: -2.260
local terms energy: -903.560014
where:
bonds (distance) C4'-P energy: -179.301
bonds (distance) P-C4' energy: -179.038
flat angles C4'-P-C4' energy: -185.721
flat angles P-C4'-P energy: -125.395
tors. eta vs tors. theta energy: -234.105
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: 2, replica: 5
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -2684.199461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2684.199461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2684.199461 (E_RNA)
where:
Base-Base interactions energy: -1796.177
where: short stacking energy: -810.964
Base-Backbone interact. energy: -4.250
local terms energy: -883.772485
where:
bonds (distance) C4'-P energy: -163.964
bonds (distance) P-C4' energy: -169.338
flat angles C4'-P-C4' energy: -205.111
flat angles P-C4'-P energy: -123.942
tors. eta vs tors. theta energy: -221.418
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: 10
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -2467.571197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2467.571197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2467.571197 (E_RNA)
where:
Base-Base interactions energy: -1642.162
where: short stacking energy: -734.335
Base-Backbone interact. energy: -0.641
local terms energy: -824.767941
where:
bonds (distance) C4'-P energy: -148.635
bonds (distance) P-C4' energy: -168.336
flat angles C4'-P-C4' energy: -191.516
flat angles P-C4'-P energy: -93.569
tors. eta vs tors. theta energy: -222.712
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: 7
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -2306.126887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2306.126887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2306.126887 (E_RNA)
where:
Base-Base interactions energy: -1463.863
where: short stacking energy: -639.328
Base-Backbone interact. energy: -1.159
local terms energy: -841.105121
where:
bonds (distance) C4'-P energy: -177.086
bonds (distance) P-C4' energy: -169.612
flat angles C4'-P-C4' energy: -174.789
flat angles P-C4'-P energy: -133.247
tors. eta vs tors. theta energy: -186.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -2029.631903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.631903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.631903 (E_RNA)
where:
Base-Base interactions energy: -1276.265
where: short stacking energy: -617.835
Base-Backbone interact. energy: -1.272
local terms energy: -752.094649
where:
bonds (distance) C4'-P energy: -147.124
bonds (distance) P-C4' energy: -161.378
flat angles C4'-P-C4' energy: -174.509
flat angles P-C4'-P energy: -106.291
tors. eta vs tors. theta energy: -162.793
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: 6, replica: 1
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -1829.164045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.164045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.164045 (E_RNA)
where:
Base-Base interactions energy: -1148.501
where: short stacking energy: -516.474
Base-Backbone interact. energy: 0.976
local terms energy: -681.639220
where:
bonds (distance) C4'-P energy: -145.720
bonds (distance) P-C4' energy: -149.232
flat angles C4'-P-C4' energy: -176.760
flat angles P-C4'-P energy: -86.012
tors. eta vs tors. theta energy: -123.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -1307.515390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.515390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.515390 (E_RNA)
where:
Base-Base interactions energy: -721.951
where: short stacking energy: -370.942
Base-Backbone interact. energy: -1.153
local terms energy: -584.411941
where:
bonds (distance) C4'-P energy: -136.014
bonds (distance) P-C4' energy: -167.412
flat angles C4'-P-C4' energy: -139.958
flat angles P-C4'-P energy: -82.025
tors. eta vs tors. theta energy: -59.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -1303.314313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.314313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.314313 (E_RNA)
where:
Base-Base interactions energy: -683.685
where: short stacking energy: -350.239
Base-Backbone interact. energy: 2.706
local terms energy: -622.335029
where:
bonds (distance) C4'-P energy: -150.997
bonds (distance) P-C4' energy: -157.074
flat angles C4'-P-C4' energy: -149.285
flat angles P-C4'-P energy: -108.915
tors. eta vs tors. theta energy: -56.064
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: 4
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -859.599411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.599411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.599411 (E_RNA)
where:
Base-Base interactions energy: -401.535
where: short stacking energy: -215.123
Base-Backbone interact. energy: 0.206
local terms energy: -458.561965
where:
bonds (distance) C4'-P energy: -126.301
bonds (distance) P-C4' energy: -167.649
flat angles C4'-P-C4' energy: -104.037
flat angles P-C4'-P energy: -81.741
tors. eta vs tors. theta energy: 21.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.291 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -725.978246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.978246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.978246 (E_RNA)
where:
Base-Base interactions energy: -283.803
where: short stacking energy: -222.164
Base-Backbone interact. energy: 0.254
local terms energy: -442.429024
where:
bonds (distance) C4'-P energy: -132.596
bonds (distance) P-C4' energy: -147.896
flat angles C4'-P-C4' energy: -119.700
flat angles P-C4'-P energy: -54.402
tors. eta vs tors. theta energy: 12.166
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: 1, replica: 3
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -2861.950203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2861.950203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2861.950203 (E_RNA)
where:
Base-Base interactions energy: -1960.413
where: short stacking energy: -832.047
Base-Backbone interact. energy: -3.077
local terms energy: -898.460034
where:
bonds (distance) C4'-P energy: -171.746
bonds (distance) P-C4' energy: -181.005
flat angles C4'-P-C4' energy: -197.494
flat angles P-C4'-P energy: -115.023
tors. eta vs tors. theta energy: -233.191
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: 5
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -2654.121345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2654.121345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2654.121345 (E_RNA)
where:
Base-Base interactions energy: -1754.935
where: short stacking energy: -776.425
Base-Backbone interact. energy: -5.043
local terms energy: -894.143494
where:
bonds (distance) C4'-P energy: -167.095
bonds (distance) P-C4' energy: -184.870
flat angles C4'-P-C4' energy: -188.618
flat angles P-C4'-P energy: -136.200
tors. eta vs tors. theta energy: -217.361
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: 102
Temperature: 1.000000
Total energy: -2486.718794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2486.718794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2486.718794 (E_RNA)
where:
Base-Base interactions energy: -1662.114
where: short stacking energy: -717.592
Base-Backbone interact. energy: -0.004
local terms energy: -824.600833
where:
bonds (distance) C4'-P energy: -140.010
bonds (distance) P-C4' energy: -202.449
flat angles C4'-P-C4' energy: -178.347
flat angles P-C4'-P energy: -113.808
tors. eta vs tors. theta energy: -189.987
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: 7
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -2303.018854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2303.018854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.018854 (E_RNA)
where:
Base-Base interactions energy: -1524.923
where: short stacking energy: -675.712
Base-Backbone interact. energy: -2.086
local terms energy: -776.009722
where:
bonds (distance) C4'-P energy: -145.176
bonds (distance) P-C4' energy: -170.339
flat angles C4'-P-C4' energy: -166.035
flat angles P-C4'-P energy: -93.320
tors. eta vs tors. theta energy: -201.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -1993.586594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.586594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1993.586594 (E_RNA)
where:
Base-Base interactions energy: -1237.043
where: short stacking energy: -578.875
Base-Backbone interact. energy: -4.413
local terms energy: -752.130297
where:
bonds (distance) C4'-P energy: -157.488
bonds (distance) P-C4' energy: -158.177
flat angles C4'-P-C4' energy: -174.787
flat angles P-C4'-P energy: -117.574
tors. eta vs tors. theta energy: -144.105
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: 1
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -1840.460220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.460220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.460220 (E_RNA)
where:
Base-Base interactions energy: -1155.538
where: short stacking energy: -516.106
Base-Backbone interact. energy: -0.984
local terms energy: -683.937370
where:
bonds (distance) C4'-P energy: -163.695
bonds (distance) P-C4' energy: -157.107
flat angles C4'-P-C4' energy: -164.497
flat angles P-C4'-P energy: -98.427
tors. eta vs tors. theta energy: -100.212
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: 7, replica: 2
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -1273.866177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.866177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.866177 (E_RNA)
where:
Base-Base interactions energy: -669.986
where: short stacking energy: -340.270
Base-Backbone interact. energy: -2.539
local terms energy: -601.340878
where:
bonds (distance) C4'-P energy: -164.610
bonds (distance) P-C4' energy: -158.799
flat angles C4'-P-C4' energy: -152.256
flat angles P-C4'-P energy: -96.945
tors. eta vs tors. theta energy: -28.732
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: 8
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -1276.934452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.934452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.934452 (E_RNA)
where:
Base-Base interactions energy: -716.306
where: short stacking energy: -347.617
Base-Backbone interact. energy: 0.195
local terms energy: -560.823241
where:
bonds (distance) C4'-P energy: -140.483
bonds (distance) P-C4' energy: -147.045
flat angles C4'-P-C4' energy: -159.468
flat angles P-C4'-P energy: -75.522
tors. eta vs tors. theta energy: -38.305
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: 9, replica: 4
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -885.801614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.801614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.801614 (E_RNA)
where:
Base-Base interactions energy: -402.093
where: short stacking energy: -244.190
Base-Backbone interact. energy: -0.155
local terms energy: -483.553406
where:
bonds (distance) C4'-P energy: -141.746
bonds (distance) P-C4' energy: -156.981
flat angles C4'-P-C4' energy: -131.411
flat angles P-C4'-P energy: -69.737
tors. eta vs tors. theta energy: 16.322
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: 102
Temperature: 1.350000
Total energy: -756.774557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.774557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.774557 (E_RNA)
where:
Base-Base interactions energy: -263.708
where: short stacking energy: -183.418
Base-Backbone interact. energy: 0.947
local terms energy: -494.014178
where:
bonds (distance) C4'-P energy: -136.661
bonds (distance) P-C4' energy: -159.961
flat angles C4'-P-C4' energy: -132.794
flat angles P-C4'-P energy: -84.575
tors. eta vs tors. theta energy: 19.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -2846.402948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2846.402948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2846.402948 (E_RNA)
where:
Base-Base interactions energy: -1944.975
where: short stacking energy: -808.460
Base-Backbone interact. energy: -5.795
local terms energy: -895.633305
where:
bonds (distance) C4'-P energy: -173.614
bonds (distance) P-C4' energy: -172.919
flat angles C4'-P-C4' energy: -193.691
flat angles P-C4'-P energy: -130.752
tors. eta vs tors. theta energy: -224.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -2679.026283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2679.026283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2679.026283 (E_RNA)
where:
Base-Base interactions energy: -1793.274
where: short stacking energy: -782.635
Base-Backbone interact. energy: 0.380
local terms energy: -886.131772
where:
bonds (distance) C4'-P energy: -184.026
bonds (distance) P-C4' energy: -166.058
flat angles C4'-P-C4' energy: -202.275
flat angles P-C4'-P energy: -114.893
tors. eta vs tors. theta energy: -218.881
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: 10
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -2473.499057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2473.499057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2473.499057 (E_RNA)
where:
Base-Base interactions energy: -1628.616
where: short stacking energy: -724.369
Base-Backbone interact. energy: -2.509
local terms energy: -842.374593
where:
bonds (distance) C4'-P energy: -173.353
bonds (distance) P-C4' energy: -162.460
flat angles C4'-P-C4' energy: -191.101
flat angles P-C4'-P energy: -115.003
tors. eta vs tors. theta energy: -200.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -2346.115036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2346.115036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2346.115036 (E_RNA)
where:
Base-Base interactions energy: -1522.744
where: short stacking energy: -690.694
Base-Backbone interact. energy: -2.878
local terms energy: -820.492905
where:
bonds (distance) C4'-P energy: -162.757
bonds (distance) P-C4' energy: -155.673
flat angles C4'-P-C4' energy: -180.906
flat angles P-C4'-P energy: -123.382
tors. eta vs tors. theta energy: -197.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -2002.101805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.101805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.101805 (E_RNA)
where:
Base-Base interactions energy: -1268.506
where: short stacking energy: -599.781
Base-Backbone interact. energy: -6.248
local terms energy: -727.348411
where:
bonds (distance) C4'-P energy: -140.718
bonds (distance) P-C4' energy: -168.922
flat angles C4'-P-C4' energy: -160.575
flat angles P-C4'-P energy: -113.216
tors. eta vs tors. theta energy: -143.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -1838.320108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.320108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.320108 (E_RNA)
where:
Base-Base interactions energy: -1157.780
where: short stacking energy: -524.997
Base-Backbone interact. energy: -0.016
local terms energy: -680.523978
where:
bonds (distance) C4'-P energy: -145.787
bonds (distance) P-C4' energy: -158.354
flat angles C4'-P-C4' energy: -154.691
flat angles P-C4'-P energy: -99.928
tors. eta vs tors. theta energy: -121.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -1326.991772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.991772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.991772 (E_RNA)
where:
Base-Base interactions energy: -753.373
where: short stacking energy: -354.998
Base-Backbone interact. energy: -5.241
local terms energy: -568.377047
where:
bonds (distance) C4'-P energy: -143.745
bonds (distance) P-C4' energy: -166.481
flat angles C4'-P-C4' energy: -142.643
flat angles P-C4'-P energy: -91.685
tors. eta vs tors. theta energy: -23.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -1308.276322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.276322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.276322 (E_RNA)
where:
Base-Base interactions energy: -708.211
where: short stacking energy: -387.370
Base-Backbone interact. energy: -1.540
local terms energy: -598.525798
where:
bonds (distance) C4'-P energy: -152.377
bonds (distance) P-C4' energy: -176.500
flat angles C4'-P-C4' energy: -125.886
flat angles P-C4'-P energy: -83.919
tors. eta vs tors. theta energy: -59.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -896.174172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.174172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.174172 (E_RNA)
where:
Base-Base interactions energy: -387.511
where: short stacking energy: -229.807
Base-Backbone interact. energy: -0.753
local terms energy: -507.909865
where:
bonds (distance) C4'-P energy: -151.407
bonds (distance) P-C4' energy: -169.288
flat angles C4'-P-C4' energy: -113.886
flat angles P-C4'-P energy: -84.528
tors. eta vs tors. theta energy: 11.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -711.007060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.007060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.007060 (E_RNA)
where:
Base-Base interactions energy: -251.873
where: short stacking energy: -179.564
Base-Backbone interact. energy: -0.836
local terms energy: -458.297584
where:
bonds (distance) C4'-P energy: -137.130
bonds (distance) P-C4' energy: -132.750
flat angles C4'-P-C4' energy: -133.733
flat angles P-C4'-P energy: -76.919
tors. eta vs tors. theta energy: 22.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -2847.292958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2847.292958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2847.292958 (E_RNA)
where:
Base-Base interactions energy: -1942.399
where: short stacking energy: -800.965
Base-Backbone interact. energy: -1.539
local terms energy: -903.355250
where:
bonds (distance) C4'-P energy: -172.474
bonds (distance) P-C4' energy: -187.555
flat angles C4'-P-C4' energy: -197.448
flat angles P-C4'-P energy: -132.334
tors. eta vs tors. theta energy: -213.546
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: 5
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -2722.009966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2722.009966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2722.009966 (E_RNA)
where:
Base-Base interactions energy: -1814.869
where: short stacking energy: -772.440
Base-Backbone interact. energy: -6.039
local terms energy: -901.102514
where:
bonds (distance) C4'-P energy: -176.322
bonds (distance) P-C4' energy: -180.874
flat angles C4'-P-C4' energy: -182.720
flat angles P-C4'-P energy: -116.190
tors. eta vs tors. theta energy: -244.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -2533.433361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2533.433361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2533.433361 (E_RNA)
where:
Base-Base interactions energy: -1665.104
where: short stacking energy: -737.732
Base-Backbone interact. energy: 2.258
local terms energy: -870.586904
where:
bonds (distance) C4'-P energy: -177.793
bonds (distance) P-C4' energy: -163.500
flat angles C4'-P-C4' energy: -190.373
flat angles P-C4'-P energy: -134.566
tors. eta vs tors. theta energy: -204.355
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: 4, replica: 7
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -2292.538765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.538765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2292.538765 (E_RNA)
where:
Base-Base interactions energy: -1479.496
where: short stacking energy: -690.214
Base-Backbone interact. energy: -2.032
local terms energy: -811.011135
where:
bonds (distance) C4'-P energy: -168.945
bonds (distance) P-C4' energy: -166.640
flat angles C4'-P-C4' energy: -189.326
flat angles P-C4'-P energy: -104.734
tors. eta vs tors. theta energy: -181.366
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: 6
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -2012.310180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.310180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.310180 (E_RNA)
where:
Base-Base interactions energy: -1255.032
where: short stacking energy: -583.023
Base-Backbone interact. energy: 1.865
local terms energy: -759.144026
where:
bonds (distance) C4'-P energy: -159.299
bonds (distance) P-C4' energy: -159.155
flat angles C4'-P-C4' energy: -180.591
flat angles P-C4'-P energy: -120.504
tors. eta vs tors. theta energy: -139.596
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: 6, replica: 1
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -1849.011463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.011463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.011463 (E_RNA)
where:
Base-Base interactions energy: -1186.111
where: short stacking energy: -502.287
Base-Backbone interact. energy: -0.842
local terms energy: -662.058232
where:
bonds (distance) C4'-P energy: -143.471
bonds (distance) P-C4' energy: -149.920
flat angles C4'-P-C4' energy: -167.465
flat angles P-C4'-P energy: -104.157
tors. eta vs tors. theta energy: -97.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -1344.704403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.704403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.704403 (E_RNA)
where:
Base-Base interactions energy: -766.767
where: short stacking energy: -394.660
Base-Backbone interact. energy: 6.393
local terms energy: -584.330456
where:
bonds (distance) C4'-P energy: -137.795
bonds (distance) P-C4' energy: -141.157
flat angles C4'-P-C4' energy: -160.134
flat angles P-C4'-P energy: -86.698
tors. eta vs tors. theta energy: -58.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -1215.533426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.533426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.533426 (E_RNA)
where:
Base-Base interactions energy: -667.005
where: short stacking energy: -354.568
Base-Backbone interact. energy: 5.084
local terms energy: -553.612786
where:
bonds (distance) C4'-P energy: -146.811
bonds (distance) P-C4' energy: -147.317
flat angles C4'-P-C4' energy: -126.676
flat angles P-C4'-P energy: -87.699
tors. eta vs tors. theta energy: -45.110
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: 9, replica: 4
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -843.338701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.338701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.338701 (E_RNA)
where:
Base-Base interactions energy: -338.013
where: short stacking energy: -231.831
Base-Backbone interact. energy: -1.437
local terms energy: -503.888670
where:
bonds (distance) C4'-P energy: -157.111
bonds (distance) P-C4' energy: -158.138
flat angles C4'-P-C4' energy: -137.061
flat angles P-C4'-P energy: -75.078
tors. eta vs tors. theta energy: 23.500
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: 9
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -638.755251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.755251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.755251 (E_RNA)
where:
Base-Base interactions energy: -211.384
where: short stacking energy: -176.241
Base-Backbone interact. energy: 7.814
local terms energy: -435.185582
where:
bonds (distance) C4'-P energy: -140.924
bonds (distance) P-C4' energy: -154.417
flat angles C4'-P-C4' energy: -109.637
flat angles P-C4'-P energy: -61.263
tors. eta vs tors. theta energy: 31.055
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: 3
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -2877.295455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2877.295455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2877.295455 (E_RNA)
where:
Base-Base interactions energy: -1977.699
where: short stacking energy: -792.235
Base-Backbone interact. energy: -3.289
local terms energy: -896.306784
where:
bonds (distance) C4'-P energy: -164.519
bonds (distance) P-C4' energy: -171.328
flat angles C4'-P-C4' energy: -202.471
flat angles P-C4'-P energy: -136.135
tors. eta vs tors. theta energy: -221.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -2709.254463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2709.254463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2709.254463 (E_RNA)
where:
Base-Base interactions energy: -1778.925
where: short stacking energy: -814.075
Base-Backbone interact. energy: -4.821
local terms energy: -925.508590
where:
bonds (distance) C4'-P energy: -189.822
bonds (distance) P-C4' energy: -166.555
flat angles C4'-P-C4' energy: -196.225
flat angles P-C4'-P energy: -128.548
tors. eta vs tors. theta energy: -244.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -2533.467631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2533.467631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2533.467631 (E_RNA)
where:
Base-Base interactions energy: -1676.018
where: short stacking energy: -740.105
Base-Backbone interact. energy: -3.514
local terms energy: -853.935766
where:
bonds (distance) C4'-P energy: -168.715
bonds (distance) P-C4' energy: -182.703
flat angles C4'-P-C4' energy: -173.269
flat angles P-C4'-P energy: -119.809
tors. eta vs tors. theta energy: -209.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -2300.254152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2300.254152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2300.254152 (E_RNA)
where:
Base-Base interactions energy: -1491.502
where: short stacking energy: -656.992
Base-Backbone interact. energy: -2.045
local terms energy: -806.707135
where:
bonds (distance) C4'-P energy: -157.703
bonds (distance) P-C4' energy: -175.503
flat angles C4'-P-C4' energy: -179.293
flat angles P-C4'-P energy: -125.828
tors. eta vs tors. theta energy: -168.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -2000.258344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.258344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.258344 (E_RNA)
where:
Base-Base interactions energy: -1244.366
where: short stacking energy: -615.664
Base-Backbone interact. energy: -0.299
local terms energy: -755.593376
where:
bonds (distance) C4'-P energy: -133.651
bonds (distance) P-C4' energy: -167.681
flat angles C4'-P-C4' energy: -166.661
flat angles P-C4'-P energy: -126.522
tors. eta vs tors. theta energy: -161.079
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: 105
Temperature: 1.150000
Total energy: -1819.030067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.030067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.030067 (E_RNA)
where:
Base-Base interactions energy: -1138.825
where: short stacking energy: -519.912
Base-Backbone interact. energy: -1.052
local terms energy: -679.153185
where:
bonds (distance) C4'-P energy: -154.441
bonds (distance) P-C4' energy: -161.559
flat angles C4'-P-C4' energy: -157.752
flat angles P-C4'-P energy: -100.938
tors. eta vs tors. theta energy: -104.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -1370.114454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.114454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.114454 (E_RNA)
where:
Base-Base interactions energy: -766.916
where: short stacking energy: -365.952
Base-Backbone interact. energy: -0.013
local terms energy: -603.184930
where:
bonds (distance) C4'-P energy: -148.023
bonds (distance) P-C4' energy: -156.383
flat angles C4'-P-C4' energy: -160.750
flat angles P-C4'-P energy: -94.781
tors. eta vs tors. theta energy: -43.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -1197.267948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.267948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.267948 (E_RNA)
where:
Base-Base interactions energy: -635.681
where: short stacking energy: -327.242
Base-Backbone interact. energy: -1.580
local terms energy: -560.007023
where:
bonds (distance) C4'-P energy: -142.635
bonds (distance) P-C4' energy: -161.696
flat angles C4'-P-C4' energy: -119.649
flat angles P-C4'-P energy: -97.807
tors. eta vs tors. theta energy: -38.220
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: 9, replica: 4
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -768.607267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.607267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.607267 (E_RNA)
where:
Base-Base interactions energy: -297.259
where: short stacking energy: -219.099
Base-Backbone interact. energy: -1.895
local terms energy: -469.453435
where:
bonds (distance) C4'-P energy: -129.862
bonds (distance) P-C4' energy: -143.356
flat angles C4'-P-C4' energy: -135.546
flat angles P-C4'-P energy: -69.017
tors. eta vs tors. theta energy: 8.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -632.682886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.682886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.682886 (E_RNA)
where:
Base-Base interactions energy: -231.732
where: short stacking energy: -160.947
Base-Backbone interact. energy: -2.379
local terms energy: -398.572392
where:
bonds (distance) C4'-P energy: -140.601
bonds (distance) P-C4' energy: -142.387
flat angles C4'-P-C4' energy: -108.392
flat angles P-C4'-P energy: -60.197
tors. eta vs tors. theta energy: 53.004
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: 1, replica: 3
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -2839.737435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2839.737435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2839.737435 (E_RNA)
where:
Base-Base interactions energy: -1886.134
where: short stacking energy: -803.433
Base-Backbone interact. energy: -6.096
local terms energy: -947.507127
where:
bonds (distance) C4'-P energy: -190.030
bonds (distance) P-C4' energy: -179.125
flat angles C4'-P-C4' energy: -193.942
flat angles P-C4'-P energy: -139.439
tors. eta vs tors. theta energy: -244.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -2755.667969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2755.667969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2755.667969 (E_RNA)
where:
Base-Base interactions energy: -1833.638
where: short stacking energy: -819.663
Base-Backbone interact. energy: 1.659
local terms energy: -923.689207
where:
bonds (distance) C4'-P energy: -180.454
bonds (distance) P-C4' energy: -170.399
flat angles C4'-P-C4' energy: -197.095
flat angles P-C4'-P energy: -133.792
tors. eta vs tors. theta energy: -241.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -2475.931182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2475.931182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2475.931182 (E_RNA)
where:
Base-Base interactions energy: -1613.170
where: short stacking energy: -725.745
Base-Backbone interact. energy: -3.771
local terms energy: -858.990063
where:
bonds (distance) C4'-P energy: -170.078
bonds (distance) P-C4' energy: -171.022
flat angles C4'-P-C4' energy: -183.443
flat angles P-C4'-P energy: -122.062
tors. eta vs tors. theta energy: -212.386
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: 7
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -2368.453138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2368.453138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2368.453138 (E_RNA)
where:
Base-Base interactions energy: -1553.072
where: short stacking energy: -690.297
Base-Backbone interact. energy: -0.989
local terms energy: -814.391464
where:
bonds (distance) C4'-P energy: -155.115
bonds (distance) P-C4' energy: -156.989
flat angles C4'-P-C4' energy: -174.823
flat angles P-C4'-P energy: -132.650
tors. eta vs tors. theta energy: -194.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -1944.652448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.652448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.652448 (E_RNA)
where:
Base-Base interactions energy: -1218.330
where: short stacking energy: -581.301
Base-Backbone interact. energy: -2.439
local terms energy: -723.883063
where:
bonds (distance) C4'-P energy: -148.816
bonds (distance) P-C4' energy: -161.004
flat angles C4'-P-C4' energy: -179.752
flat angles P-C4'-P energy: -101.461
tors. eta vs tors. theta energy: -132.851
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: 6, replica: 1
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -1757.684445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.684445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.684445 (E_RNA)
where:
Base-Base interactions energy: -1091.772
where: short stacking energy: -505.386
Base-Backbone interact. energy: -0.028
local terms energy: -665.884383
where:
bonds (distance) C4'-P energy: -149.266
bonds (distance) P-C4' energy: -166.940
flat angles C4'-P-C4' energy: -138.447
flat angles P-C4'-P energy: -103.861
tors. eta vs tors. theta energy: -107.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -1308.799241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.799241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.799241 (E_RNA)
where:
Base-Base interactions energy: -699.248
where: short stacking energy: -373.384
Base-Backbone interact. energy: 5.095
local terms energy: -614.646565
where:
bonds (distance) C4'-P energy: -160.440
bonds (distance) P-C4' energy: -167.151
flat angles C4'-P-C4' energy: -140.674
flat angles P-C4'-P energy: -96.856
tors. eta vs tors. theta energy: -49.525
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: 2
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -1220.892612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.892612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.892612 (E_RNA)
where:
Base-Base interactions energy: -659.182
where: short stacking energy: -332.980
Base-Backbone interact. energy: 1.440
local terms energy: -563.150572
where:
bonds (distance) C4'-P energy: -149.563
bonds (distance) P-C4' energy: -141.030
flat angles C4'-P-C4' energy: -162.797
flat angles P-C4'-P energy: -96.003
tors. eta vs tors. theta energy: -13.757
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: 4
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -787.495883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.495883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.495883 (E_RNA)
where:
Base-Base interactions energy: -328.883
where: short stacking energy: -219.989
Base-Backbone interact. energy: 2.759
local terms energy: -461.371328
where:
bonds (distance) C4'-P energy: -153.317
bonds (distance) P-C4' energy: -153.662
flat angles C4'-P-C4' energy: -112.921
flat angles P-C4'-P energy: -78.495
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: 10, replica: 9
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -657.364108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.364108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.364108 (E_RNA)
where:
Base-Base interactions energy: -214.867
where: short stacking energy: -171.662
Base-Backbone interact. energy: -1.788
local terms energy: -440.709501
where:
bonds (distance) C4'-P energy: -124.479
bonds (distance) P-C4' energy: -166.717
flat angles C4'-P-C4' energy: -120.405
flat angles P-C4'-P energy: -75.289
tors. eta vs tors. theta energy: 46.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -2848.028759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2848.028759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2848.028759 (E_RNA)
where:
Base-Base interactions energy: -1915.062
where: short stacking energy: -831.293
Base-Backbone interact. energy: -4.977
local terms energy: -927.990252
where:
bonds (distance) C4'-P energy: -168.061
bonds (distance) P-C4' energy: -184.020
flat angles C4'-P-C4' energy: -189.638
flat angles P-C4'-P energy: -117.045
tors. eta vs tors. theta energy: -269.226
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: 5
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -2724.898166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2724.898166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2724.898166 (E_RNA)
where:
Base-Base interactions energy: -1814.305
where: short stacking energy: -813.544
Base-Backbone interact. energy: -1.822
local terms energy: -908.770988
where:
bonds (distance) C4'-P energy: -176.105
bonds (distance) P-C4' energy: -177.393
flat angles C4'-P-C4' energy: -184.896
flat angles P-C4'-P energy: -135.132
tors. eta vs tors. theta energy: -235.246
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: 107
Temperature: 1.000000
Total energy: -2529.268330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2529.268330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2529.268330 (E_RNA)
where:
Base-Base interactions energy: -1654.888
where: short stacking energy: -751.290
Base-Backbone interact. energy: 1.024
local terms energy: -875.403911
where:
bonds (distance) C4'-P energy: -165.919
bonds (distance) P-C4' energy: -173.731
flat angles C4'-P-C4' energy: -187.647
flat angles P-C4'-P energy: -122.434
tors. eta vs tors. theta energy: -225.673
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: 4, replica: 7
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -2358.083636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2358.083636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.083636 (E_RNA)
where:
Base-Base interactions energy: -1558.939
where: short stacking energy: -686.029
Base-Backbone interact. energy: 0.414
local terms energy: -799.559089
where:
bonds (distance) C4'-P energy: -168.736
bonds (distance) P-C4' energy: -153.080
flat angles C4'-P-C4' energy: -164.251
flat angles P-C4'-P energy: -111.585
tors. eta vs tors. theta energy: -201.907
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: 5, replica: 6
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -2033.503779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.503779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.503779 (E_RNA)
where:
Base-Base interactions energy: -1308.972
where: short stacking energy: -607.440
Base-Backbone interact. energy: -1.581
local terms energy: -722.951250
where:
bonds (distance) C4'-P energy: -164.934
bonds (distance) P-C4' energy: -163.774
flat angles C4'-P-C4' energy: -168.798
flat angles P-C4'-P energy: -91.597
tors. eta vs tors. theta energy: -133.848
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: 1
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -1731.931817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.931817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.931817 (E_RNA)
where:
Base-Base interactions energy: -1072.390
where: short stacking energy: -500.678
Base-Backbone interact. energy: -4.274
local terms energy: -655.267974
where:
bonds (distance) C4'-P energy: -137.926
bonds (distance) P-C4' energy: -162.390
flat angles C4'-P-C4' energy: -165.658
flat angles P-C4'-P energy: -97.113
tors. eta vs tors. theta energy: -92.181
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: 8
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -1318.649002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.649002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.649002 (E_RNA)
where:
Base-Base interactions energy: -734.501
where: short stacking energy: -375.891
Base-Backbone interact. energy: -3.571
local terms energy: -580.577107
where:
bonds (distance) C4'-P energy: -155.615
bonds (distance) P-C4' energy: -152.243
flat angles C4'-P-C4' energy: -148.662
flat angles P-C4'-P energy: -73.135
tors. eta vs tors. theta energy: -50.921
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: 8, replica: 2
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -1226.734806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.734806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.734806 (E_RNA)
where:
Base-Base interactions energy: -682.668
where: short stacking energy: -350.925
Base-Backbone interact. energy: -1.264
local terms energy: -542.803010
where:
bonds (distance) C4'-P energy: -134.399
bonds (distance) P-C4' energy: -151.242
flat angles C4'-P-C4' energy: -124.214
flat angles P-C4'-P energy: -94.036
tors. eta vs tors. theta energy: -38.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -816.702934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.702934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.702934 (E_RNA)
where:
Base-Base interactions energy: -304.949
where: short stacking energy: -190.964
Base-Backbone interact. energy: -0.640
local terms energy: -511.113160
where:
bonds (distance) C4'-P energy: -151.063
bonds (distance) P-C4' energy: -181.196
flat angles C4'-P-C4' energy: -124.110
flat angles P-C4'-P energy: -77.157
tors. eta vs tors. theta energy: 22.412
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: 9
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -690.580173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.580173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.580173 (E_RNA)
where:
Base-Base interactions energy: -286.303
where: short stacking energy: -182.023
Base-Backbone interact. energy: 1.523
local terms energy: -405.799740
where:
bonds (distance) C4'-P energy: -129.518
bonds (distance) P-C4' energy: -139.147
flat angles C4'-P-C4' energy: -105.409
flat angles P-C4'-P energy: -58.301
tors. eta vs tors. theta energy: 26.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -2821.575360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2821.575360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2821.575360 (E_RNA)
where:
Base-Base interactions energy: -1910.233
where: short stacking energy: -796.747
Base-Backbone interact. energy: -2.616
local terms energy: -908.726529
where:
bonds (distance) C4'-P energy: -165.218
bonds (distance) P-C4' energy: -189.104
flat angles C4'-P-C4' energy: -187.749
flat angles P-C4'-P energy: -129.237
tors. eta vs tors. theta energy: -237.418
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: 5
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -2693.107518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2693.107518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2693.107518 (E_RNA)
where:
Base-Base interactions energy: -1832.097
where: short stacking energy: -777.385
Base-Backbone interact. energy: -4.975
local terms energy: -856.035816
where:
bonds (distance) C4'-P energy: -164.659
bonds (distance) P-C4' energy: -165.836
flat angles C4'-P-C4' energy: -186.812
flat angles P-C4'-P energy: -102.776
tors. eta vs tors. theta energy: -235.952
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: 10
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -2512.248245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2512.248245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2512.248245 (E_RNA)
where:
Base-Base interactions energy: -1630.361
where: short stacking energy: -739.699
Base-Backbone interact. energy: -2.067
local terms energy: -879.820723
where:
bonds (distance) C4'-P energy: -173.161
bonds (distance) P-C4' energy: -178.026
flat angles C4'-P-C4' energy: -186.041
flat angles P-C4'-P energy: -129.932
tors. eta vs tors. theta energy: -212.661
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: 7
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -2323.366761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2323.366761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2323.366761 (E_RNA)
where:
Base-Base interactions energy: -1485.199
where: short stacking energy: -654.026
Base-Backbone interact. energy: 4.132
local terms energy: -842.298864
where:
bonds (distance) C4'-P energy: -171.013
bonds (distance) P-C4' energy: -178.177
flat angles C4'-P-C4' energy: -186.942
flat angles P-C4'-P energy: -131.649
tors. eta vs tors. theta energy: -174.518
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: 5, replica: 6
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -2033.715864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.715864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.715864 (E_RNA)
where:
Base-Base interactions energy: -1306.446
where: short stacking energy: -590.494
Base-Backbone interact. energy: -2.448
local terms energy: -724.821452
where:
bonds (distance) C4'-P energy: -147.967
bonds (distance) P-C4' energy: -168.927
flat angles C4'-P-C4' energy: -176.100
flat angles P-C4'-P energy: -91.828
tors. eta vs tors. theta energy: -139.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -1795.571678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.571678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.571678 (E_RNA)
where:
Base-Base interactions energy: -1136.214
where: short stacking energy: -504.826
Base-Backbone interact. energy: -1.831
local terms energy: -657.526783
where:
bonds (distance) C4'-P energy: -150.336
bonds (distance) P-C4' energy: -159.053
flat angles C4'-P-C4' energy: -146.682
flat angles P-C4'-P energy: -90.317
tors. eta vs tors. theta energy: -111.138
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: 7, replica: 8
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -1281.496419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.496419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.496419 (E_RNA)
where:
Base-Base interactions energy: -695.995
where: short stacking energy: -349.575
Base-Backbone interact. energy: -3.950
local terms energy: -581.552054
where:
bonds (distance) C4'-P energy: -147.826
bonds (distance) P-C4' energy: -156.511
flat angles C4'-P-C4' energy: -139.055
flat angles P-C4'-P energy: -94.785
tors. eta vs tors. theta energy: -43.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -1217.547380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.547380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.547380 (E_RNA)
where:
Base-Base interactions energy: -677.174
where: short stacking energy: -369.166
Base-Backbone interact. energy: 3.824
local terms energy: -544.197550
where:
bonds (distance) C4'-P energy: -151.958
bonds (distance) P-C4' energy: -158.667
flat angles C4'-P-C4' energy: -107.656
flat angles P-C4'-P energy: -81.365
tors. eta vs tors. theta energy: -44.552
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: 9
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -703.632484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.632484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.632484 (E_RNA)
where:
Base-Base interactions energy: -264.167
where: short stacking energy: -210.553
Base-Backbone interact. energy: -1.424
local terms energy: -438.040916
where:
bonds (distance) C4'-P energy: -151.319
bonds (distance) P-C4' energy: -151.128
flat angles C4'-P-C4' energy: -123.238
flat angles P-C4'-P energy: -59.491
tors. eta vs tors. theta energy: 47.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -711.629024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.629024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.629024 (E_RNA)
where:
Base-Base interactions energy: -306.915
where: short stacking energy: -223.359
Base-Backbone interact. energy: 8.294
local terms energy: -413.008154
where:
bonds (distance) C4'-P energy: -112.842
bonds (distance) P-C4' energy: -151.266
flat angles C4'-P-C4' energy: -124.750
flat angles P-C4'-P energy: -43.812
tors. eta vs tors. theta energy: 19.662
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: 1, replica: 3
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -2873.391546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2873.391546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2873.391546 (E_RNA)
where:
Base-Base interactions energy: -1959.066
where: short stacking energy: -855.318
Base-Backbone interact. energy: 5.304
local terms energy: -919.629190
where:
bonds (distance) C4'-P energy: -169.605
bonds (distance) P-C4' energy: -172.927
flat angles C4'-P-C4' energy: -199.516
flat angles P-C4'-P energy: -126.011
tors. eta vs tors. theta energy: -251.571
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: 5
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -2696.502175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2696.502175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2696.502175 (E_RNA)
where:
Base-Base interactions energy: -1833.842
where: short stacking energy: -789.293
Base-Backbone interact. energy: 1.486
local terms energy: -864.146131
where:
bonds (distance) C4'-P energy: -160.567
bonds (distance) P-C4' energy: -174.536
flat angles C4'-P-C4' energy: -198.221
flat angles P-C4'-P energy: -114.272
tors. eta vs tors. theta energy: -216.550
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: 3, replica: 10
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -2527.526248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2527.526248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2527.526248 (E_RNA)
where:
Base-Base interactions energy: -1655.021
where: short stacking energy: -740.743
Base-Backbone interact. energy: 0.639
local terms energy: -873.143969
where:
bonds (distance) C4'-P energy: -148.236
bonds (distance) P-C4' energy: -176.827
flat angles C4'-P-C4' energy: -197.910
flat angles P-C4'-P energy: -130.657
tors. eta vs tors. theta energy: -219.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -2309.103943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2309.103943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2309.103943 (E_RNA)
where:
Base-Base interactions energy: -1485.416
where: short stacking energy: -656.965
Base-Backbone interact. energy: -3.243
local terms energy: -820.445028
where:
bonds (distance) C4'-P energy: -155.949
bonds (distance) P-C4' energy: -170.086
flat angles C4'-P-C4' energy: -192.083
flat angles P-C4'-P energy: -117.135
tors. eta vs tors. theta energy: -185.191
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: 5, replica: 6
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -1989.259564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.259564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.259564 (E_RNA)
where:
Base-Base interactions energy: -1266.248
where: short stacking energy: -573.543
Base-Backbone interact. energy: 3.252
local terms energy: -726.263109
where:
bonds (distance) C4'-P energy: -171.351
bonds (distance) P-C4' energy: -161.201
flat angles C4'-P-C4' energy: -160.541
flat angles P-C4'-P energy: -109.651
tors. eta vs tors. theta energy: -123.520
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: 1
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -1839.577535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.577535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.577535 (E_RNA)
where:
Base-Base interactions energy: -1107.220
where: short stacking energy: -482.341
Base-Backbone interact. energy: -3.590
local terms energy: -728.767509
where:
bonds (distance) C4'-P energy: -179.870
bonds (distance) P-C4' energy: -166.088
flat angles C4'-P-C4' energy: -159.403
flat angles P-C4'-P energy: -105.700
tors. eta vs tors. theta energy: -117.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -1366.113806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.113806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.113806 (E_RNA)
where:
Base-Base interactions energy: -779.184
where: short stacking energy: -396.210
Base-Backbone interact. energy: -3.397
local terms energy: -583.532511
where:
bonds (distance) C4'-P energy: -150.312
bonds (distance) P-C4' energy: -152.058
flat angles C4'-P-C4' energy: -146.791
flat angles P-C4'-P energy: -86.891
tors. eta vs tors. theta energy: -47.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -1221.615645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.615645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.615645 (E_RNA)
where:
Base-Base interactions energy: -650.039
where: short stacking energy: -358.505
Base-Backbone interact. energy: 4.756
local terms energy: -576.332293
where:
bonds (distance) C4'-P energy: -152.537
bonds (distance) P-C4' energy: -147.088
flat angles C4'-P-C4' energy: -137.571
flat angles P-C4'-P energy: -89.371
tors. eta vs tors. theta energy: -49.765
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: 9, replica: 9
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -768.062504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.062504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.062504 (E_RNA)
where:
Base-Base interactions energy: -287.777
where: short stacking energy: -217.005
Base-Backbone interact. energy: -1.715
local terms energy: -478.570618
where:
bonds (distance) C4'-P energy: -158.120
bonds (distance) P-C4' energy: -144.451
flat angles C4'-P-C4' energy: -122.348
flat angles P-C4'-P energy: -75.673
tors. eta vs tors. theta energy: 22.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -682.370170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.370170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.370170 (E_RNA)
where:
Base-Base interactions energy: -268.067
where: short stacking energy: -207.249
Base-Backbone interact. energy: 0.344
local terms energy: -414.647682
where:
bonds (distance) C4'-P energy: -127.957
bonds (distance) P-C4' energy: -157.385
flat angles C4'-P-C4' energy: -94.666
flat angles P-C4'-P energy: -75.007
tors. eta vs tors. theta energy: 40.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -2856.638088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2856.638088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2856.638088 (E_RNA)
where:
Base-Base interactions energy: -1948.680
where: short stacking energy: -809.661
Base-Backbone interact. energy: -2.994
local terms energy: -904.964471
where:
bonds (distance) C4'-P energy: -160.990
bonds (distance) P-C4' energy: -198.956
flat angles C4'-P-C4' energy: -190.768
flat angles P-C4'-P energy: -119.676
tors. eta vs tors. theta energy: -234.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -2729.505514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2729.505514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2729.505514 (E_RNA)
where:
Base-Base interactions energy: -1837.982
where: short stacking energy: -779.517
Base-Backbone interact. energy: -2.345
local terms energy: -889.178662
where:
bonds (distance) C4'-P energy: -166.162
bonds (distance) P-C4' energy: -173.828
flat angles C4'-P-C4' energy: -193.986
flat angles P-C4'-P energy: -120.927
tors. eta vs tors. theta energy: -234.276
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: 10
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -2490.059119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2490.059119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2490.059119 (E_RNA)
where:
Base-Base interactions energy: -1646.672
where: short stacking energy: -746.804
Base-Backbone interact. energy: -1.055
local terms energy: -842.332206
where:
bonds (distance) C4'-P energy: -164.591
bonds (distance) P-C4' energy: -161.913
flat angles C4'-P-C4' energy: -187.897
flat angles P-C4'-P energy: -119.998
tors. eta vs tors. theta energy: -207.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -2274.875747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.875747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.875747 (E_RNA)
where:
Base-Base interactions energy: -1460.062
where: short stacking energy: -654.964
Base-Backbone interact. energy: 2.774
local terms energy: -817.588268
where:
bonds (distance) C4'-P energy: -158.003
bonds (distance) P-C4' energy: -155.496
flat angles C4'-P-C4' energy: -185.979
flat angles P-C4'-P energy: -130.258
tors. eta vs tors. theta energy: -187.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -2082.686098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.686098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.686098 (E_RNA)
where:
Base-Base interactions energy: -1332.606
where: short stacking energy: -570.053
Base-Backbone interact. energy: -0.507
local terms energy: -749.572460
where:
bonds (distance) C4'-P energy: -145.669
bonds (distance) P-C4' energy: -181.259
flat angles C4'-P-C4' energy: -171.387
flat angles P-C4'-P energy: -101.608
tors. eta vs tors. theta energy: -149.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -1871.476485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.476485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.476485 (E_RNA)
where:
Base-Base interactions energy: -1149.098
where: short stacking energy: -528.025
Base-Backbone interact. energy: -1.394
local terms energy: -720.984794
where:
bonds (distance) C4'-P energy: -139.805
bonds (distance) P-C4' energy: -162.862
flat angles C4'-P-C4' energy: -171.541
flat angles P-C4'-P energy: -123.830
tors. eta vs tors. theta energy: -122.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -1283.995250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.995250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.995250 (E_RNA)
where:
Base-Base interactions energy: -695.490
where: short stacking energy: -373.401
Base-Backbone interact. energy: -1.551
local terms energy: -586.954063
where:
bonds (distance) C4'-P energy: -176.697
bonds (distance) P-C4' energy: -147.209
flat angles C4'-P-C4' energy: -137.159
flat angles P-C4'-P energy: -95.780
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: 8, replica: 2
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -1214.943269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.943269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.943269 (E_RNA)
where:
Base-Base interactions energy: -662.968
where: short stacking energy: -353.216
Base-Backbone interact. energy: 1.451
local terms energy: -553.426045
where:
bonds (distance) C4'-P energy: -153.056
bonds (distance) P-C4' energy: -153.962
flat angles C4'-P-C4' energy: -127.508
flat angles P-C4'-P energy: -83.646
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: 9, replica: 9
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -760.080630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.080630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.080630 (E_RNA)
where:
Base-Base interactions energy: -300.424
where: short stacking energy: -197.564
Base-Backbone interact. energy: 6.324
local terms energy: -465.980951
where:
bonds (distance) C4'-P energy: -125.051
bonds (distance) P-C4' energy: -151.270
flat angles C4'-P-C4' energy: -136.214
flat angles P-C4'-P energy: -76.469
tors. eta vs tors. theta energy: 23.024
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: 10, replica: 4
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -642.132180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.132180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.132180 (E_RNA)
where:
Base-Base interactions energy: -224.100
where: short stacking energy: -194.875
Base-Backbone interact. energy: 1.336
local terms energy: -419.368819
where:
bonds (distance) C4'-P energy: -137.936
bonds (distance) P-C4' energy: -151.010
flat angles C4'-P-C4' energy: -97.589
flat angles P-C4'-P energy: -51.392
tors. eta vs tors. theta energy: 18.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -2867.800114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2867.800114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2867.800114 (E_RNA)
where:
Base-Base interactions energy: -1966.133
where: short stacking energy: -823.530
Base-Backbone interact. energy: -1.535
local terms energy: -900.132387
where:
bonds (distance) C4'-P energy: -177.447
bonds (distance) P-C4' energy: -174.077
flat angles C4'-P-C4' energy: -196.039
flat angles P-C4'-P energy: -123.244
tors. eta vs tors. theta energy: -229.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -2707.619232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2707.619232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2707.619232 (E_RNA)
where:
Base-Base interactions energy: -1849.743
where: short stacking energy: -779.659
Base-Backbone interact. energy: -1.023
local terms energy: -856.852967
where:
bonds (distance) C4'-P energy: -164.438
bonds (distance) P-C4' energy: -168.190
flat angles C4'-P-C4' energy: -191.643
flat angles P-C4'-P energy: -120.723
tors. eta vs tors. theta energy: -211.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -2546.028538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2546.028538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2546.028538 (E_RNA)
where:
Base-Base interactions energy: -1669.077
where: short stacking energy: -746.370
Base-Backbone interact. energy: -1.563
local terms energy: -875.389057
where:
bonds (distance) C4'-P energy: -162.657
bonds (distance) P-C4' energy: -173.533
flat angles C4'-P-C4' energy: -192.473
flat angles P-C4'-P energy: -123.437
tors. eta vs tors. theta energy: -223.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -2319.914815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.914815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2319.914815 (E_RNA)
where:
Base-Base interactions energy: -1505.792
where: short stacking energy: -692.145
Base-Backbone interact. energy: 0.051
local terms energy: -814.173216
where:
bonds (distance) C4'-P energy: -160.281
bonds (distance) P-C4' energy: -171.586
flat angles C4'-P-C4' energy: -186.162
flat angles P-C4'-P energy: -100.944
tors. eta vs tors. theta energy: -195.200
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: 5, replica: 6
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -2043.885842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.885842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.885842 (E_RNA)
where:
Base-Base interactions energy: -1282.225
where: short stacking energy: -580.599
Base-Backbone interact. energy: 2.038
local terms energy: -763.698973
where:
bonds (distance) C4'-P energy: -138.996
bonds (distance) P-C4' energy: -183.423
flat angles C4'-P-C4' energy: -181.747
flat angles P-C4'-P energy: -112.544
tors. eta vs tors. theta energy: -146.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -1801.712579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.712579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.712579 (E_RNA)
where:
Base-Base interactions energy: -1116.062
where: short stacking energy: -506.668
Base-Backbone interact. energy: -0.663
local terms energy: -684.987552
where:
bonds (distance) C4'-P energy: -155.102
bonds (distance) P-C4' energy: -162.329
flat angles C4'-P-C4' energy: -153.923
flat angles P-C4'-P energy: -89.252
tors. eta vs tors. theta energy: -124.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -1359.459295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.459295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.459295 (E_RNA)
where:
Base-Base interactions energy: -767.989
where: short stacking energy: -410.013
Base-Backbone interact. energy: -2.957
local terms energy: -588.513953
where:
bonds (distance) C4'-P energy: -154.966
bonds (distance) P-C4' energy: -155.466
flat angles C4'-P-C4' energy: -140.463
flat angles P-C4'-P energy: -83.224
tors. eta vs tors. theta energy: -54.395
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: 8, replica: 2
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -1166.595472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.595472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.595472 (E_RNA)
where:
Base-Base interactions energy: -663.563
where: short stacking energy: -326.625
Base-Backbone interact. energy: 3.386
local terms energy: -506.419163
where:
bonds (distance) C4'-P energy: -144.403
bonds (distance) P-C4' energy: -141.732
flat angles C4'-P-C4' energy: -117.699
flat angles P-C4'-P energy: -81.391
tors. eta vs tors. theta energy: -21.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -707.984187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.984187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.984187 (E_RNA)
where:
Base-Base interactions energy: -241.669
where: short stacking energy: -194.779
Base-Backbone interact. energy: -2.668
local terms energy: -463.648001
where:
bonds (distance) C4'-P energy: -164.352
bonds (distance) P-C4' energy: -152.888
flat angles C4'-P-C4' energy: -120.308
flat angles P-C4'-P energy: -47.963
tors. eta vs tors. theta energy: 21.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -628.697899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.697899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.697899 (E_RNA)
where:
Base-Base interactions energy: -201.295
where: short stacking energy: -170.274
Base-Backbone interact. energy: -0.010
local terms energy: -427.392594
where:
bonds (distance) C4'-P energy: -140.690
bonds (distance) P-C4' energy: -133.832
flat angles C4'-P-C4' energy: -128.843
flat angles P-C4'-P energy: -64.091
tors. eta vs tors. theta energy: 40.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -2780.197954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2780.197954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2780.197954 (E_RNA)
where:
Base-Base interactions energy: -1878.559
where: short stacking energy: -786.620
Base-Backbone interact. energy: -2.446
local terms energy: -899.193165
where:
bonds (distance) C4'-P energy: -172.114
bonds (distance) P-C4' energy: -183.521
flat angles C4'-P-C4' energy: -207.628
flat angles P-C4'-P energy: -122.943
tors. eta vs tors. theta energy: -212.987
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: 3
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -2782.968033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2782.968033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2782.968033 (E_RNA)
where:
Base-Base interactions energy: -1920.889
where: short stacking energy: -774.510
Base-Backbone interact. energy: -0.936
local terms energy: -861.143382
where:
bonds (distance) C4'-P energy: -163.357
bonds (distance) P-C4' energy: -162.734
flat angles C4'-P-C4' energy: -193.829
flat angles P-C4'-P energy: -108.515
tors. eta vs tors. theta energy: -232.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -2553.002717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2553.002717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2553.002717 (E_RNA)
where:
Base-Base interactions energy: -1672.758
where: short stacking energy: -751.911
Base-Backbone interact. energy: -4.595
local terms energy: -875.650440
where:
bonds (distance) C4'-P energy: -173.214
bonds (distance) P-C4' energy: -170.836
flat angles C4'-P-C4' energy: -185.898
flat angles P-C4'-P energy: -113.750
tors. eta vs tors. theta energy: -231.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -2366.505381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2366.505381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2366.505381 (E_RNA)
where:
Base-Base interactions energy: -1591.893
where: short stacking energy: -708.812
Base-Backbone interact. energy: -0.966
local terms energy: -773.645970
where:
bonds (distance) C4'-P energy: -132.123
bonds (distance) P-C4' energy: -160.097
flat angles C4'-P-C4' energy: -173.249
flat angles P-C4'-P energy: -125.096
tors. eta vs tors. theta energy: -183.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -2016.764668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.764668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.764668 (E_RNA)
where:
Base-Base interactions energy: -1304.805
where: short stacking energy: -579.292
Base-Backbone interact. energy: -5.419
local terms energy: -706.540379
where:
bonds (distance) C4'-P energy: -149.715
bonds (distance) P-C4' energy: -165.661
flat angles C4'-P-C4' energy: -154.093
flat angles P-C4'-P energy: -89.146
tors. eta vs tors. theta energy: -147.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -1832.669733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.669733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.669733 (E_RNA)
where:
Base-Base interactions energy: -1164.602
where: short stacking energy: -515.824
Base-Backbone interact. energy: -0.769
local terms energy: -667.298214
where:
bonds (distance) C4'-P energy: -138.436
bonds (distance) P-C4' energy: -139.828
flat angles C4'-P-C4' energy: -165.206
flat angles P-C4'-P energy: -105.685
tors. eta vs tors. theta energy: -118.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -1398.914285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.914285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.914285 (E_RNA)
where:
Base-Base interactions energy: -795.594
where: short stacking energy: -385.860
Base-Backbone interact. energy: 8.904
local terms energy: -612.225033
where:
bonds (distance) C4'-P energy: -153.698
bonds (distance) P-C4' energy: -152.118
flat angles C4'-P-C4' energy: -140.452
flat angles P-C4'-P energy: -102.989
tors. eta vs tors. theta energy: -62.967
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: 2
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -1187.611238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.611238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.611238 (E_RNA)
where:
Base-Base interactions energy: -650.039
where: short stacking energy: -341.764
Base-Backbone interact. energy: 0.871
local terms energy: -538.443187
where:
bonds (distance) C4'-P energy: -112.382
bonds (distance) P-C4' energy: -161.017
flat angles C4'-P-C4' energy: -152.305
flat angles P-C4'-P energy: -80.751
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: 4
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -719.342549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.342549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.342549 (E_RNA)
where:
Base-Base interactions energy: -264.348
where: short stacking energy: -174.660
Base-Backbone interact. energy: 3.077
local terms energy: -458.072497
where:
bonds (distance) C4'-P energy: -146.216
bonds (distance) P-C4' energy: -156.551
flat angles C4'-P-C4' energy: -112.838
flat angles P-C4'-P energy: -75.807
tors. eta vs tors. theta energy: 33.340
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: 112
Temperature: 1.350000
Total energy: -672.146285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.146285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.146285 (E_RNA)
where:
Base-Base interactions energy: -212.386
where: short stacking energy: -148.621
Base-Backbone interact. energy: 0.087
local terms energy: -459.847906
where:
bonds (distance) C4'-P energy: -144.534
bonds (distance) P-C4' energy: -147.151
flat angles C4'-P-C4' energy: -118.816
flat angles P-C4'-P energy: -76.153
tors. eta vs tors. theta energy: 26.807
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: 5
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -2816.237573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2816.237573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2816.237573 (E_RNA)
where:
Base-Base interactions energy: -1888.544
where: short stacking energy: -815.046
Base-Backbone interact. energy: -1.000
local terms energy: -926.693422
where:
bonds (distance) C4'-P energy: -170.122
bonds (distance) P-C4' energy: -191.827
flat angles C4'-P-C4' energy: -202.950
flat angles P-C4'-P energy: -126.053
tors. eta vs tors. theta energy: -235.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -2747.825856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2747.825856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2747.825856 (E_RNA)
where:
Base-Base interactions energy: -1899.069
where: short stacking energy: -800.586
Base-Backbone interact. energy: 1.219
local terms energy: -849.975318
where:
bonds (distance) C4'-P energy: -173.393
bonds (distance) P-C4' energy: -157.222
flat angles C4'-P-C4' energy: -181.175
flat angles P-C4'-P energy: -117.423
tors. eta vs tors. theta energy: -220.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -2531.655103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2531.655103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2531.655103 (E_RNA)
where:
Base-Base interactions energy: -1699.875
where: short stacking energy: -743.418
Base-Backbone interact. energy: -4.124
local terms energy: -827.655194
where:
bonds (distance) C4'-P energy: -142.238
bonds (distance) P-C4' energy: -181.829
flat angles C4'-P-C4' energy: -181.356
flat angles P-C4'-P energy: -107.770
tors. eta vs tors. theta energy: -214.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -2449.067511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2449.067511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2449.067511 (E_RNA)
where:
Base-Base interactions energy: -1610.986
where: short stacking energy: -724.332
Base-Backbone interact. energy: -1.666
local terms energy: -836.415084
where:
bonds (distance) C4'-P energy: -161.764
bonds (distance) P-C4' energy: -148.326
flat angles C4'-P-C4' energy: -176.386
flat angles P-C4'-P energy: -123.646
tors. eta vs tors. theta energy: -226.293
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: 6
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -1987.638396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.638396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.638396 (E_RNA)
where:
Base-Base interactions energy: -1253.000
where: short stacking energy: -598.697
Base-Backbone interact. energy: -2.339
local terms energy: -732.299684
where:
bonds (distance) C4'-P energy: -143.267
bonds (distance) P-C4' energy: -161.717
flat angles C4'-P-C4' energy: -160.403
flat angles P-C4'-P energy: -106.626
tors. eta vs tors. theta energy: -160.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -1786.733923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.733923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.733923 (E_RNA)
where:
Base-Base interactions energy: -1117.383
where: short stacking energy: -491.878
Base-Backbone interact. energy: -3.739
local terms energy: -665.612531
where:
bonds (distance) C4'-P energy: -160.615
bonds (distance) P-C4' energy: -147.749
flat angles C4'-P-C4' energy: -169.793
flat angles P-C4'-P energy: -84.370
tors. eta vs tors. theta energy: -103.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -1392.238903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.238903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.238903 (E_RNA)
where:
Base-Base interactions energy: -811.762
where: short stacking energy: -399.965
Base-Backbone interact. energy: -1.704
local terms energy: -578.772369
where:
bonds (distance) C4'-P energy: -145.648
bonds (distance) P-C4' energy: -140.288
flat angles C4'-P-C4' energy: -147.849
flat angles P-C4'-P energy: -87.376
tors. eta vs tors. theta energy: -57.611
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: 2
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -1163.680597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.680597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.680597 (E_RNA)
where:
Base-Base interactions energy: -616.146
where: short stacking energy: -354.690
Base-Backbone interact. energy: -2.596
local terms energy: -544.938961
where:
bonds (distance) C4'-P energy: -147.095
bonds (distance) P-C4' energy: -155.346
flat angles C4'-P-C4' energy: -139.332
flat angles P-C4'-P energy: -67.896
tors. eta vs tors. theta energy: -35.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -740.375163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.375163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.375163 (E_RNA)
where:
Base-Base interactions energy: -295.043
where: short stacking energy: -219.853
Base-Backbone interact. energy: 9.173
local terms energy: -454.505442
where:
bonds (distance) C4'-P energy: -149.623
bonds (distance) P-C4' energy: -153.959
flat angles C4'-P-C4' energy: -117.250
flat angles P-C4'-P energy: -56.347
tors. eta vs tors. theta energy: 22.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -657.645938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.645938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.645938 (E_RNA)
where:
Base-Base interactions energy: -243.932
where: short stacking energy: -182.953
Base-Backbone interact. energy: 3.461
local terms energy: -417.174940
where:
bonds (distance) C4'-P energy: -141.285
bonds (distance) P-C4' energy: -135.190
flat angles C4'-P-C4' energy: -109.759
flat angles P-C4'-P energy: -61.209
tors. eta vs tors. theta energy: 30.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -2858.964884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2858.964884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2858.964884 (E_RNA)
where:
Base-Base interactions energy: -1953.739
where: short stacking energy: -850.872
Base-Backbone interact. energy: 0.008
local terms energy: -905.233820
where:
bonds (distance) C4'-P energy: -177.420
bonds (distance) P-C4' energy: -179.172
flat angles C4'-P-C4' energy: -181.161
flat angles P-C4'-P energy: -128.742
tors. eta vs tors. theta energy: -238.739
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: 3
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -2761.091838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2761.091838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2761.091838 (E_RNA)
where:
Base-Base interactions energy: -1871.735
where: short stacking energy: -755.474
Base-Backbone interact. energy: 5.267
local terms energy: -894.623247
where:
bonds (distance) C4'-P energy: -174.303
bonds (distance) P-C4' energy: -189.166
flat angles C4'-P-C4' energy: -187.770
flat angles P-C4'-P energy: -120.681
tors. eta vs tors. theta energy: -222.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -2530.944192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2530.944192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2530.944192 (E_RNA)
where:
Base-Base interactions energy: -1687.806
where: short stacking energy: -747.041
Base-Backbone interact. energy: 0.257
local terms energy: -843.394830
where:
bonds (distance) C4'-P energy: -152.471
bonds (distance) P-C4' energy: -165.398
flat angles C4'-P-C4' energy: -179.618
flat angles P-C4'-P energy: -123.096
tors. eta vs tors. theta energy: -222.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -2409.946720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2409.946720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2409.946720 (E_RNA)
where:
Base-Base interactions energy: -1586.127
where: short stacking energy: -700.773
Base-Backbone interact. energy: 4.388
local terms energy: -828.207787
where:
bonds (distance) C4'-P energy: -172.996
bonds (distance) P-C4' energy: -176.130
flat angles C4'-P-C4' energy: -188.285
flat angles P-C4'-P energy: -99.759
tors. eta vs tors. theta energy: -191.038
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: 6
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -2023.547935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.547935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.547935 (E_RNA)
where:
Base-Base interactions energy: -1289.206
where: short stacking energy: -592.272
Base-Backbone interact. energy: -2.097
local terms energy: -732.245450
where:
bonds (distance) C4'-P energy: -142.802
bonds (distance) P-C4' energy: -164.566
flat angles C4'-P-C4' energy: -190.281
flat angles P-C4'-P energy: -95.449
tors. eta vs tors. theta energy: -139.149
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: 6, replica: 1
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -1779.067812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.067812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.067812 (E_RNA)
where:
Base-Base interactions energy: -1132.101
where: short stacking energy: -523.097
Base-Backbone interact. energy: 0.174
local terms energy: -647.140514
where:
bonds (distance) C4'-P energy: -130.593
bonds (distance) P-C4' energy: -155.698
flat angles C4'-P-C4' energy: -162.831
flat angles P-C4'-P energy: -98.653
tors. eta vs tors. theta energy: -99.366
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: 8
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -1394.365214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.365214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.365214 (E_RNA)
where:
Base-Base interactions energy: -759.389
where: short stacking energy: -392.763
Base-Backbone interact. energy: -2.869
local terms energy: -632.106870
where:
bonds (distance) C4'-P energy: -155.919
bonds (distance) P-C4' energy: -162.859
flat angles C4'-P-C4' energy: -142.200
flat angles P-C4'-P energy: -113.646
tors. eta vs tors. theta energy: -57.483
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: 114
Temperature: 1.250000
Total energy: -1145.431747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.431747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.431747 (E_RNA)
where:
Base-Base interactions energy: -612.149
where: short stacking energy: -322.879
Base-Backbone interact. energy: 4.760
local terms energy: -538.042890
where:
bonds (distance) C4'-P energy: -134.556
bonds (distance) P-C4' energy: -142.423
flat angles C4'-P-C4' energy: -138.433
flat angles P-C4'-P energy: -91.285
tors. eta vs tors. theta energy: -31.347
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: 4
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -778.255572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.255572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.255572 (E_RNA)
where:
Base-Base interactions energy: -317.392
where: short stacking energy: -206.729
Base-Backbone interact. energy: 3.362
local terms energy: -464.225454
where:
bonds (distance) C4'-P energy: -160.855
bonds (distance) P-C4' energy: -150.176
flat angles C4'-P-C4' energy: -109.105
flat angles P-C4'-P energy: -82.161
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: 10, replica: 9
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -651.670377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.670377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.670377 (E_RNA)
where:
Base-Base interactions energy: -225.389
where: short stacking energy: -175.925
Base-Backbone interact. energy: -2.004
local terms energy: -424.277177
where:
bonds (distance) C4'-P energy: -119.321
bonds (distance) P-C4' energy: -137.120
flat angles C4'-P-C4' energy: -128.037
flat angles P-C4'-P energy: -60.823
tors. eta vs tors. theta energy: 21.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -2890.603179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2890.603179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2890.603179 (E_RNA)
where:
Base-Base interactions energy: -2002.135
where: short stacking energy: -875.647
Base-Backbone interact. energy: -3.199
local terms energy: -885.269871
where:
bonds (distance) C4'-P energy: -156.719
bonds (distance) P-C4' energy: -175.065
flat angles C4'-P-C4' energy: -186.315
flat angles P-C4'-P energy: -110.888
tors. eta vs tors. theta energy: -256.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -2801.043055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2801.043055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2801.043055 (E_RNA)
where:
Base-Base interactions energy: -1906.598
where: short stacking energy: -811.422
Base-Backbone interact. energy: -5.286
local terms energy: -889.159000
where:
bonds (distance) C4'-P energy: -173.020
bonds (distance) P-C4' energy: -158.516
flat angles C4'-P-C4' energy: -195.932
flat angles P-C4'-P energy: -126.514
tors. eta vs tors. theta energy: -235.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -2498.194415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2498.194415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2498.194415 (E_RNA)
where:
Base-Base interactions energy: -1618.965
where: short stacking energy: -754.527
Base-Backbone interact. energy: -3.410
local terms energy: -875.820185
where:
bonds (distance) C4'-P energy: -157.154
bonds (distance) P-C4' energy: -190.801
flat angles C4'-P-C4' energy: -196.421
flat angles P-C4'-P energy: -117.254
tors. eta vs tors. theta energy: -214.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -2461.371078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2461.371078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2461.371078 (E_RNA)
where:
Base-Base interactions energy: -1636.130
where: short stacking energy: -713.165
Base-Backbone interact. energy: -3.285
local terms energy: -821.956247
where:
bonds (distance) C4'-P energy: -144.192
bonds (distance) P-C4' energy: -170.322
flat angles C4'-P-C4' energy: -182.246
flat angles P-C4'-P energy: -113.974
tors. eta vs tors. theta energy: -211.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -2016.986358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.986358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.986358 (E_RNA)
where:
Base-Base interactions energy: -1285.161
where: short stacking energy: -567.132
Base-Backbone interact. energy: -1.417
local terms energy: -730.408512
where:
bonds (distance) C4'-P energy: -144.952
bonds (distance) P-C4' energy: -169.281
flat angles C4'-P-C4' energy: -172.996
flat angles P-C4'-P energy: -103.811
tors. eta vs tors. theta energy: -139.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -1717.411588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.411588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.411588 (E_RNA)
where:
Base-Base interactions energy: -1038.203
where: short stacking energy: -454.427
Base-Backbone interact. energy: -1.393
local terms energy: -677.815743
where:
bonds (distance) C4'-P energy: -143.219
bonds (distance) P-C4' energy: -178.206
flat angles C4'-P-C4' energy: -149.884
flat angles P-C4'-P energy: -106.214
tors. eta vs tors. theta energy: -100.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -1405.045525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.045525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.045525 (E_RNA)
where:
Base-Base interactions energy: -790.784
where: short stacking energy: -411.006
Base-Backbone interact. energy: -5.837
local terms energy: -608.424694
where:
bonds (distance) C4'-P energy: -150.052
bonds (distance) P-C4' energy: -155.929
flat angles C4'-P-C4' energy: -143.703
flat angles P-C4'-P energy: -96.171
tors. eta vs tors. theta energy: -62.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -1233.484147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.484147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.484147 (E_RNA)
where:
Base-Base interactions energy: -675.214
where: short stacking energy: -361.513
Base-Backbone interact. energy: 0.548
local terms energy: -558.818114
where:
bonds (distance) C4'-P energy: -149.164
bonds (distance) P-C4' energy: -134.828
flat angles C4'-P-C4' energy: -153.655
flat angles P-C4'-P energy: -80.360
tors. eta vs tors. theta energy: -40.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -789.853905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.853905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.853905 (E_RNA)
where:
Base-Base interactions energy: -290.165
where: short stacking energy: -204.979
Base-Backbone interact. energy: 0.360
local terms energy: -500.048939
where:
bonds (distance) C4'-P energy: -149.207
bonds (distance) P-C4' energy: -143.672
flat angles C4'-P-C4' energy: -130.977
flat angles P-C4'-P energy: -86.352
tors. eta vs tors. theta energy: 10.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -675.212063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.212063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.212063 (E_RNA)
where:
Base-Base interactions energy: -280.346
where: short stacking energy: -208.660
Base-Backbone interact. energy: 12.056
local terms energy: -406.921929
where:
bonds (distance) C4'-P energy: -128.880
bonds (distance) P-C4' energy: -149.368
flat angles C4'-P-C4' energy: -114.199
flat angles P-C4'-P energy: -51.044
tors. eta vs tors. theta energy: 36.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -2821.036997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2821.036997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2821.036997 (E_RNA)
where:
Base-Base interactions energy: -1908.186
where: short stacking energy: -774.008
Base-Backbone interact. energy: -4.049
local terms energy: -908.801713
where:
bonds (distance) C4'-P energy: -176.658
bonds (distance) P-C4' energy: -190.321
flat angles C4'-P-C4' energy: -198.780
flat angles P-C4'-P energy: -119.642
tors. eta vs tors. theta energy: -223.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -2781.031776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2781.031776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2781.031776 (E_RNA)
where:
Base-Base interactions energy: -1892.859
where: short stacking energy: -822.880
Base-Backbone interact. energy: -2.650
local terms energy: -885.522012
where:
bonds (distance) C4'-P energy: -151.323
bonds (distance) P-C4' energy: -185.258
flat angles C4'-P-C4' energy: -193.134
flat angles P-C4'-P energy: -110.455
tors. eta vs tors. theta energy: -245.352
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: 3, replica: 10
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -2542.056782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2542.056782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2542.056782 (E_RNA)
where:
Base-Base interactions energy: -1724.670
where: short stacking energy: -798.104
Base-Backbone interact. energy: -5.947
local terms energy: -811.439976
where:
bonds (distance) C4'-P energy: -154.502
bonds (distance) P-C4' energy: -163.240
flat angles C4'-P-C4' energy: -181.746
flat angles P-C4'-P energy: -96.026
tors. eta vs tors. theta energy: -215.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -2456.143399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2456.143399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2456.143399 (E_RNA)
where:
Base-Base interactions energy: -1621.165
where: short stacking energy: -723.278
Base-Backbone interact. energy: 4.287
local terms energy: -839.265708
where:
bonds (distance) C4'-P energy: -180.343
bonds (distance) P-C4' energy: -166.131
flat angles C4'-P-C4' energy: -188.085
flat angles P-C4'-P energy: -112.535
tors. eta vs tors. theta energy: -192.171
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: 6
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -2058.615251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.615251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.615251 (E_RNA)
where:
Base-Base interactions energy: -1311.948
where: short stacking energy: -595.180
Base-Backbone interact. energy: -4.434
local terms energy: -742.232836
where:
bonds (distance) C4'-P energy: -160.100
bonds (distance) P-C4' energy: -158.219
flat angles C4'-P-C4' energy: -164.229
flat angles P-C4'-P energy: -109.508
tors. eta vs tors. theta energy: -150.176
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: 1
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -1753.392642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.392642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.392642 (E_RNA)
where:
Base-Base interactions energy: -1079.784
where: short stacking energy: -465.894
Base-Backbone interact. energy: 2.058
local terms energy: -675.666512
where:
bonds (distance) C4'-P energy: -158.820
bonds (distance) P-C4' energy: -165.262
flat angles C4'-P-C4' energy: -161.981
flat angles P-C4'-P energy: -107.633
tors. eta vs tors. theta energy: -81.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -1443.844693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.844693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1443.844693 (E_RNA)
where:
Base-Base interactions energy: -818.028
where: short stacking energy: -394.159
Base-Backbone interact. energy: -2.586
local terms energy: -623.231597
where:
bonds (distance) C4'-P energy: -154.162
bonds (distance) P-C4' energy: -171.228
flat angles C4'-P-C4' energy: -155.823
flat angles P-C4'-P energy: -84.708
tors. eta vs tors. theta energy: -57.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -1257.538026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.538026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.538026 (E_RNA)
where:
Base-Base interactions energy: -692.369
where: short stacking energy: -386.583
Base-Backbone interact. energy: -0.173
local terms energy: -564.996464
where:
bonds (distance) C4'-P energy: -147.896
bonds (distance) P-C4' energy: -150.699
flat angles C4'-P-C4' energy: -131.148
flat angles P-C4'-P energy: -78.041
tors. eta vs tors. theta energy: -57.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -754.131221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.131221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.131221 (E_RNA)
where:
Base-Base interactions energy: -336.928
where: short stacking energy: -220.116
Base-Backbone interact. energy: 0.640
local terms energy: -417.843038
where:
bonds (distance) C4'-P energy: -121.548
bonds (distance) P-C4' energy: -131.159
flat angles C4'-P-C4' energy: -107.731
flat angles P-C4'-P energy: -81.103
tors. eta vs tors. theta energy: 23.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -659.764638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.764638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.764638 (E_RNA)
where:
Base-Base interactions energy: -246.610
where: short stacking energy: -210.840
Base-Backbone interact. energy: 3.213
local terms energy: -416.367557
where:
bonds (distance) C4'-P energy: -129.723
bonds (distance) P-C4' energy: -130.805
flat angles C4'-P-C4' energy: -114.238
flat angles P-C4'-P energy: -61.714
tors. eta vs tors. theta energy: 20.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -2881.600071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2881.600071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2881.600071 (E_RNA)
where:
Base-Base interactions energy: -2003.622
where: short stacking energy: -838.607
Base-Backbone interact. energy: -5.599
local terms energy: -872.379414
where:
bonds (distance) C4'-P energy: -156.098
bonds (distance) P-C4' energy: -177.577
flat angles C4'-P-C4' energy: -181.444
flat angles P-C4'-P energy: -126.289
tors. eta vs tors. theta energy: -230.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -2783.875843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2783.875843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2783.875843 (E_RNA)
where:
Base-Base interactions energy: -1895.981
where: short stacking energy: -801.416
Base-Backbone interact. energy: -6.237
local terms energy: -881.657417
where:
bonds (distance) C4'-P energy: -166.472
bonds (distance) P-C4' energy: -161.434
flat angles C4'-P-C4' energy: -191.675
flat angles P-C4'-P energy: -123.220
tors. eta vs tors. theta energy: -238.857
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: 3, replica: 10
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -2523.769348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2523.769348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2523.769348 (E_RNA)
where:
Base-Base interactions energy: -1647.990
where: short stacking energy: -741.556
Base-Backbone interact. energy: -1.002
local terms energy: -874.778016
where:
bonds (distance) C4'-P energy: -172.276
bonds (distance) P-C4' energy: -185.719
flat angles C4'-P-C4' energy: -194.035
flat angles P-C4'-P energy: -120.733
tors. eta vs tors. theta energy: -202.014
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: 7
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -2440.180161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2440.180161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2440.180161 (E_RNA)
where:
Base-Base interactions energy: -1640.794
where: short stacking energy: -748.990
Base-Backbone interact. energy: -1.214
local terms energy: -798.172299
where:
bonds (distance) C4'-P energy: -154.097
bonds (distance) P-C4' energy: -159.712
flat angles C4'-P-C4' energy: -167.258
flat angles P-C4'-P energy: -102.283
tors. eta vs tors. theta energy: -214.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -2036.950863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.950863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.950863 (E_RNA)
where:
Base-Base interactions energy: -1296.559
where: short stacking energy: -550.321
Base-Backbone interact. energy: -0.219
local terms energy: -740.173807
where:
bonds (distance) C4'-P energy: -144.856
bonds (distance) P-C4' energy: -169.969
flat angles C4'-P-C4' energy: -170.391
flat angles P-C4'-P energy: -113.427
tors. eta vs tors. theta energy: -141.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -1721.445849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.445849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.445849 (E_RNA)
where:
Base-Base interactions energy: -1046.539
where: short stacking energy: -510.381
Base-Backbone interact. energy: -3.120
local terms energy: -671.786086
where:
bonds (distance) C4'-P energy: -152.791
bonds (distance) P-C4' energy: -142.662
flat angles C4'-P-C4' energy: -175.338
flat angles P-C4'-P energy: -98.178
tors. eta vs tors. theta energy: -102.816
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: 7, replica: 8
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -1508.964681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.964681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.964681 (E_RNA)
where:
Base-Base interactions energy: -865.715
where: short stacking energy: -406.494
Base-Backbone interact. energy: -3.875
local terms energy: -639.374915
where:
bonds (distance) C4'-P energy: -164.751
bonds (distance) P-C4' energy: -157.577
flat angles C4'-P-C4' energy: -159.711
flat angles P-C4'-P energy: -92.969
tors. eta vs tors. theta energy: -64.367
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: 2
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -1126.912193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.912193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.912193 (E_RNA)
where:
Base-Base interactions energy: -605.987
where: short stacking energy: -307.236
Base-Backbone interact. energy: 0.623
local terms energy: -521.548224
where:
bonds (distance) C4'-P energy: -127.574
bonds (distance) P-C4' energy: -139.091
flat angles C4'-P-C4' energy: -155.883
flat angles P-C4'-P energy: -96.276
tors. eta vs tors. theta energy: -2.724
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: 9
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -865.803859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.803859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.803859 (E_RNA)
where:
Base-Base interactions energy: -415.749
where: short stacking energy: -252.482
Base-Backbone interact. energy: 1.213
local terms energy: -451.268668
where:
bonds (distance) C4'-P energy: -124.609
bonds (distance) P-C4' energy: -148.131
flat angles C4'-P-C4' energy: -128.305
flat angles P-C4'-P energy: -57.481
tors. eta vs tors. theta energy: 7.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -674.029096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.029096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.029096 (E_RNA)
where:
Base-Base interactions energy: -240.804
where: short stacking energy: -194.605
Base-Backbone interact. energy: -0.399
local terms energy: -432.825656
where:
bonds (distance) C4'-P energy: -154.647
bonds (distance) P-C4' energy: -155.297
flat angles C4'-P-C4' energy: -113.552
flat angles P-C4'-P energy: -56.226
tors. eta vs tors. theta energy: 46.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -2894.604856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2894.604856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2894.604856 (E_RNA)
where:
Base-Base interactions energy: -1996.906
where: short stacking energy: -821.109
Base-Backbone interact. energy: -2.912
local terms energy: -894.786458
where:
bonds (distance) C4'-P energy: -178.682
bonds (distance) P-C4' energy: -169.714
flat angles C4'-P-C4' energy: -198.685
flat angles P-C4'-P energy: -111.896
tors. eta vs tors. theta energy: -235.810
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: 5
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -2710.873702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2710.873702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2710.873702 (E_RNA)
where:
Base-Base interactions energy: -1839.359
where: short stacking energy: -802.211
Base-Backbone interact. energy: -2.060
local terms energy: -869.454394
where:
bonds (distance) C4'-P energy: -163.035
bonds (distance) P-C4' energy: -170.243
flat angles C4'-P-C4' energy: -191.864
flat angles P-C4'-P energy: -115.568
tors. eta vs tors. theta energy: -228.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -2481.683667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2481.683667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2481.683667 (E_RNA)
where:
Base-Base interactions energy: -1652.693
where: short stacking energy: -765.033
Base-Backbone interact. energy: -1.780
local terms energy: -827.210529
where:
bonds (distance) C4'-P energy: -153.812
bonds (distance) P-C4' energy: -167.583
flat angles C4'-P-C4' energy: -177.664
flat angles P-C4'-P energy: -117.260
tors. eta vs tors. theta energy: -210.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -2397.440107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2397.440107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2397.440107 (E_RNA)
where:
Base-Base interactions energy: -1592.932
where: short stacking energy: -661.619
Base-Backbone interact. energy: 3.037
local terms energy: -807.544270
where:
bonds (distance) C4'-P energy: -174.018
bonds (distance) P-C4' energy: -153.014
flat angles C4'-P-C4' energy: -180.278
flat angles P-C4'-P energy: -121.402
tors. eta vs tors. theta energy: -178.833
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: 6
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -2127.023765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2127.023765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.023765 (E_RNA)
where:
Base-Base interactions energy: -1395.225
where: short stacking energy: -630.103
Base-Backbone interact. energy: -3.778
local terms energy: -728.020574
where:
bonds (distance) C4'-P energy: -155.362
bonds (distance) P-C4' energy: -138.888
flat angles C4'-P-C4' energy: -154.744
flat angles P-C4'-P energy: -109.024
tors. eta vs tors. theta energy: -170.002
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: 6, replica: 1
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -1674.805367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.805367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.805367 (E_RNA)
where:
Base-Base interactions energy: -1014.737
where: short stacking energy: -469.753
Base-Backbone interact. energy: 0.038
local terms energy: -660.105806
where:
bonds (distance) C4'-P energy: -143.534
bonds (distance) P-C4' energy: -171.537
flat angles C4'-P-C4' energy: -148.475
flat angles P-C4'-P energy: -93.464
tors. eta vs tors. theta energy: -103.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -1406.238324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.238324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.238324 (E_RNA)
where:
Base-Base interactions energy: -809.939
where: short stacking energy: -390.255
Base-Backbone interact. energy: 5.658
local terms energy: -601.957461
where:
bonds (distance) C4'-P energy: -146.051
bonds (distance) P-C4' energy: -145.060
flat angles C4'-P-C4' energy: -161.240
flat angles P-C4'-P energy: -80.332
tors. eta vs tors. theta energy: -69.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -1077.760663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.760663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.760663 (E_RNA)
where:
Base-Base interactions energy: -562.753
where: short stacking energy: -290.554
Base-Backbone interact. energy: 10.147
local terms energy: -525.154589
where:
bonds (distance) C4'-P energy: -159.850
bonds (distance) P-C4' energy: -170.886
flat angles C4'-P-C4' energy: -129.477
flat angles P-C4'-P energy: -65.817
tors. eta vs tors. theta energy: 0.876
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: 118
Temperature: 1.300000
Total energy: -854.168155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.168155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.168155 (E_RNA)
where:
Base-Base interactions energy: -371.106
where: short stacking energy: -244.094
Base-Backbone interact. energy: -3.886
local terms energy: -479.176020
where:
bonds (distance) C4'-P energy: -146.121
bonds (distance) P-C4' energy: -149.113
flat angles C4'-P-C4' energy: -123.092
flat angles P-C4'-P energy: -88.415
tors. eta vs tors. theta energy: 27.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -652.231075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.231075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.231075 (E_RNA)
where:
Base-Base interactions energy: -206.513
where: short stacking energy: -163.234
Base-Backbone interact. energy: 2.271
local terms energy: -447.989138
where:
bonds (distance) C4'-P energy: -142.102
bonds (distance) P-C4' energy: -141.097
flat angles C4'-P-C4' energy: -122.402
flat angles P-C4'-P energy: -82.530
tors. eta vs tors. theta energy: 40.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -2911.775786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2911.775786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2911.775786 (E_RNA)
where:
Base-Base interactions energy: -2004.178
where: short stacking energy: -796.156
Base-Backbone interact. energy: -1.975
local terms energy: -905.622910
where:
bonds (distance) C4'-P energy: -181.526
bonds (distance) P-C4' energy: -177.301
flat angles C4'-P-C4' energy: -189.249
flat angles P-C4'-P energy: -127.032
tors. eta vs tors. theta energy: -230.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -2753.198699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2753.198699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2753.198699 (E_RNA)
where:
Base-Base interactions energy: -1843.843
where: short stacking energy: -807.157
Base-Backbone interact. energy: -4.145
local terms energy: -905.210548
where:
bonds (distance) C4'-P energy: -167.697
bonds (distance) P-C4' energy: -174.485
flat angles C4'-P-C4' energy: -196.335
flat angles P-C4'-P energy: -133.739
tors. eta vs tors. theta energy: -232.953
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: 10
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -2539.190248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2539.190248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2539.190248 (E_RNA)
where:
Base-Base interactions energy: -1639.431
where: short stacking energy: -757.748
Base-Backbone interact. energy: -4.379
local terms energy: -895.380935
where:
bonds (distance) C4'-P energy: -157.597
bonds (distance) P-C4' energy: -183.043
flat angles C4'-P-C4' energy: -189.435
flat angles P-C4'-P energy: -138.076
tors. eta vs tors. theta energy: -227.230
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: 7
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -2453.937832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2453.937832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2453.937832 (E_RNA)
where:
Base-Base interactions energy: -1602.009
where: short stacking energy: -682.821
Base-Backbone interact. energy: 0.419
local terms energy: -852.347246
where:
bonds (distance) C4'-P energy: -173.857
bonds (distance) P-C4' energy: -160.670
flat angles C4'-P-C4' energy: -193.473
flat angles P-C4'-P energy: -121.962
tors. eta vs tors. theta energy: -202.385
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: 6
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -2166.337220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.337220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2166.337220 (E_RNA)
where:
Base-Base interactions energy: -1426.481
where: short stacking energy: -622.975
Base-Backbone interact. energy: -0.151
local terms energy: -739.704896
where:
bonds (distance) C4'-P energy: -147.353
bonds (distance) P-C4' energy: -166.528
flat angles C4'-P-C4' energy: -169.143
flat angles P-C4'-P energy: -94.992
tors. eta vs tors. theta energy: -161.689
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: 1
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -1707.204586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.204586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.204586 (E_RNA)
where:
Base-Base interactions energy: -1026.040
where: short stacking energy: -498.221
Base-Backbone interact. energy: 2.995
local terms energy: -684.159978
where:
bonds (distance) C4'-P energy: -163.034
bonds (distance) P-C4' energy: -161.473
flat angles C4'-P-C4' energy: -152.653
flat angles P-C4'-P energy: -100.529
tors. eta vs tors. theta energy: -106.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -1439.734737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.734737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.734737 (E_RNA)
where:
Base-Base interactions energy: -823.537
where: short stacking energy: -391.482
Base-Backbone interact. energy: 0.232
local terms energy: -616.429849
where:
bonds (distance) C4'-P energy: -131.894
bonds (distance) P-C4' energy: -164.832
flat angles C4'-P-C4' energy: -145.454
flat angles P-C4'-P energy: -102.622
tors. eta vs tors. theta energy: -71.627
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: 2
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -1105.051559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.051559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.051559 (E_RNA)
where:
Base-Base interactions energy: -551.430
where: short stacking energy: -302.558
Base-Backbone interact. energy: -0.463
local terms energy: -553.158760
where:
bonds (distance) C4'-P energy: -140.630
bonds (distance) P-C4' energy: -151.471
flat angles C4'-P-C4' energy: -154.450
flat angles P-C4'-P energy: -64.333
tors. eta vs tors. theta energy: -42.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -808.127476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.127476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.127476 (E_RNA)
where:
Base-Base interactions energy: -365.777
where: short stacking energy: -188.087
Base-Backbone interact. energy: 4.643
local terms energy: -446.993252
where:
bonds (distance) C4'-P energy: -149.936
bonds (distance) P-C4' energy: -151.413
flat angles C4'-P-C4' energy: -114.578
flat angles P-C4'-P energy: -61.338
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: 10, replica: 4
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -690.709777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.709777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.709777 (E_RNA)
where:
Base-Base interactions energy: -264.227
where: short stacking energy: -207.186
Base-Backbone interact. energy: 1.863
local terms energy: -428.345753
where:
bonds (distance) C4'-P energy: -126.401
bonds (distance) P-C4' energy: -142.339
flat angles C4'-P-C4' energy: -126.466
flat angles P-C4'-P energy: -56.060
tors. eta vs tors. theta energy: 22.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -2939.987828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2939.987828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2939.987828 (E_RNA)
where:
Base-Base interactions energy: -2014.008
where: short stacking energy: -856.496
Base-Backbone interact. energy: -5.315
local terms energy: -920.665512
where:
bonds (distance) C4'-P energy: -161.008
bonds (distance) P-C4' energy: -187.536
flat angles C4'-P-C4' energy: -198.508
flat angles P-C4'-P energy: -135.567
tors. eta vs tors. theta energy: -238.046
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: 5
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -2752.542614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2752.542614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2752.542614 (E_RNA)
where:
Base-Base interactions energy: -1875.192
where: short stacking energy: -817.148
Base-Backbone interact. energy: 1.027
local terms energy: -878.378216
where:
bonds (distance) C4'-P energy: -166.511
bonds (distance) P-C4' energy: -170.036
flat angles C4'-P-C4' energy: -198.174
flat angles P-C4'-P energy: -115.767
tors. eta vs tors. theta energy: -227.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -2531.802585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2531.802585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2531.802585 (E_RNA)
where:
Base-Base interactions energy: -1664.358
where: short stacking energy: -781.388
Base-Backbone interact. energy: -2.338
local terms energy: -865.105872
where:
bonds (distance) C4'-P energy: -170.947
bonds (distance) P-C4' energy: -167.238
flat angles C4'-P-C4' energy: -187.927
flat angles P-C4'-P energy: -116.401
tors. eta vs tors. theta energy: -222.593
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: 4, replica: 7
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -2453.309649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2453.309649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2453.309649 (E_RNA)
where:
Base-Base interactions energy: -1635.353
where: short stacking energy: -704.246
Base-Backbone interact. energy: -4.224
local terms energy: -813.732497
where:
bonds (distance) C4'-P energy: -166.387
bonds (distance) P-C4' energy: -160.993
flat angles C4'-P-C4' energy: -170.007
flat angles P-C4'-P energy: -121.000
tors. eta vs tors. theta energy: -195.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -2161.755368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2161.755368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.755368 (E_RNA)
where:
Base-Base interactions energy: -1426.545
where: short stacking energy: -596.475
Base-Backbone interact. energy: -4.235
local terms energy: -730.975320
where:
bonds (distance) C4'-P energy: -175.365
bonds (distance) P-C4' energy: -163.219
flat angles C4'-P-C4' energy: -145.874
flat angles P-C4'-P energy: -101.973
tors. eta vs tors. theta energy: -144.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -1763.885724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.885724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.885724 (E_RNA)
where:
Base-Base interactions energy: -1075.430
where: short stacking energy: -488.412
Base-Backbone interact. energy: -5.361
local terms energy: -683.094256
where:
bonds (distance) C4'-P energy: -143.519
bonds (distance) P-C4' energy: -168.957
flat angles C4'-P-C4' energy: -165.151
flat angles P-C4'-P energy: -114.428
tors. eta vs tors. theta energy: -91.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -1448.602020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.602020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.602020 (E_RNA)
where:
Base-Base interactions energy: -841.388
where: short stacking energy: -399.616
Base-Backbone interact. energy: -2.512
local terms energy: -604.701355
where:
bonds (distance) C4'-P energy: -154.732
bonds (distance) P-C4' energy: -147.532
flat angles C4'-P-C4' energy: -150.580
flat angles P-C4'-P energy: -93.715
tors. eta vs tors. theta energy: -58.142
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: 2
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -1143.419335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.419335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.419335 (E_RNA)
where:
Base-Base interactions energy: -592.399
where: short stacking energy: -331.735
Base-Backbone interact. energy: 3.872
local terms energy: -554.892388
where:
bonds (distance) C4'-P energy: -137.052
bonds (distance) P-C4' energy: -135.586
flat angles C4'-P-C4' energy: -138.815
flat angles P-C4'-P energy: -97.484
tors. eta vs tors. theta energy: -45.956
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: 120
Temperature: 1.300000
Total energy: -841.751862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.751862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.751862 (E_RNA)
where:
Base-Base interactions energy: -356.317
where: short stacking energy: -213.589
Base-Backbone interact. energy: 0.022
local terms energy: -485.455937
where:
bonds (distance) C4'-P energy: -155.867
bonds (distance) P-C4' energy: -155.804
flat angles C4'-P-C4' energy: -99.514
flat angles P-C4'-P energy: -98.209
tors. eta vs tors. theta energy: 23.938
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: 10, replica: 4
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -772.119568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.119568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.119568 (E_RNA)
where:
Base-Base interactions energy: -295.010
where: short stacking energy: -214.232
Base-Backbone interact. energy: 3.363
local terms energy: -480.472154
where:
bonds (distance) C4'-P energy: -137.964
bonds (distance) P-C4' energy: -134.880
flat angles C4'-P-C4' energy: -130.693
flat angles P-C4'-P energy: -76.478
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: 1, replica: 3
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -2888.641669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2888.641669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2888.641669 (E_RNA)
where:
Base-Base interactions energy: -1951.267
where: short stacking energy: -786.571
Base-Backbone interact. energy: -1.780
local terms energy: -935.594841
where:
bonds (distance) C4'-P energy: -188.377
bonds (distance) P-C4' energy: -177.374
flat angles C4'-P-C4' energy: -190.894
flat angles P-C4'-P energy: -145.874
tors. eta vs tors. theta energy: -233.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -2746.587589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2746.587589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2746.587589 (E_RNA)
where:
Base-Base interactions energy: -1877.158
where: short stacking energy: -801.868
Base-Backbone interact. energy: -3.120
local terms energy: -866.309140
where:
bonds (distance) C4'-P energy: -176.844
bonds (distance) P-C4' energy: -170.898
flat angles C4'-P-C4' energy: -182.573
flat angles P-C4'-P energy: -117.751
tors. eta vs tors. theta energy: -218.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -2506.863755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2506.863755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2506.863755 (E_RNA)
where:
Base-Base interactions energy: -1649.430
where: short stacking energy: -783.242
Base-Backbone interact. energy: -3.251
local terms energy: -854.182064
where:
bonds (distance) C4'-P energy: -165.907
bonds (distance) P-C4' energy: -170.937
flat angles C4'-P-C4' energy: -188.029
flat angles P-C4'-P energy: -107.394
tors. eta vs tors. theta energy: -221.916
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: 4, replica: 7
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -2465.423857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2465.423857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2465.423857 (E_RNA)
where:
Base-Base interactions energy: -1600.387
where: short stacking energy: -683.717
Base-Backbone interact. energy: -0.699
local terms energy: -864.337466
where:
bonds (distance) C4'-P energy: -169.474
bonds (distance) P-C4' energy: -184.621
flat angles C4'-P-C4' energy: -175.891
flat angles P-C4'-P energy: -139.886
tors. eta vs tors. theta energy: -194.466
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: 6
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -2072.422953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.422953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.422953 (E_RNA)
where:
Base-Base interactions energy: -1360.486
where: short stacking energy: -592.742
Base-Backbone interact. energy: 0.029
local terms energy: -711.965594
where:
bonds (distance) C4'-P energy: -159.652
bonds (distance) P-C4' energy: -149.111
flat angles C4'-P-C4' energy: -177.340
flat angles P-C4'-P energy: -95.540
tors. eta vs tors. theta energy: -130.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -1738.537850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.537850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.537850 (E_RNA)
where:
Base-Base interactions energy: -1088.825
where: short stacking energy: -470.236
Base-Backbone interact. energy: -2.385
local terms energy: -647.327246
where:
bonds (distance) C4'-P energy: -145.250
bonds (distance) P-C4' energy: -151.605
flat angles C4'-P-C4' energy: -158.338
flat angles P-C4'-P energy: -93.489
tors. eta vs tors. theta energy: -98.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -1450.448775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.448775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1450.448775 (E_RNA)
where:
Base-Base interactions energy: -846.917
where: short stacking energy: -403.771
Base-Backbone interact. energy: -0.376
local terms energy: -603.156379
where:
bonds (distance) C4'-P energy: -146.086
bonds (distance) P-C4' energy: -161.359
flat angles C4'-P-C4' energy: -141.519
flat angles P-C4'-P energy: -89.399
tors. eta vs tors. theta energy: -64.793
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: 8, replica: 2
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -1163.841942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.841942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.841942 (E_RNA)
where:
Base-Base interactions energy: -649.604
where: short stacking energy: -326.241
Base-Backbone interact. energy: 2.256
local terms energy: -516.494797
where:
bonds (distance) C4'-P energy: -145.066
bonds (distance) P-C4' energy: -158.431
flat angles C4'-P-C4' energy: -137.871
flat angles P-C4'-P energy: -63.681
tors. eta vs tors. theta energy: -11.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -812.250695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.250695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.250695 (E_RNA)
where:
Base-Base interactions energy: -344.286
where: short stacking energy: -233.584
Base-Backbone interact. energy: 11.343
local terms energy: -479.308319
where:
bonds (distance) C4'-P energy: -132.406
bonds (distance) P-C4' energy: -162.383
flat angles C4'-P-C4' energy: -130.139
flat angles P-C4'-P energy: -70.376
tors. eta vs tors. theta energy: 15.995
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: 4
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -666.036413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.036413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.036413 (E_RNA)
where:
Base-Base interactions energy: -234.213
where: short stacking energy: -169.798
Base-Backbone interact. energy: 0.247
local terms energy: -432.070215
where:
bonds (distance) C4'-P energy: -155.750
bonds (distance) P-C4' energy: -135.628
flat angles C4'-P-C4' energy: -124.570
flat angles P-C4'-P energy: -67.916
tors. eta vs tors. theta energy: 51.793
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: 1, replica: 3
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -2876.024095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2876.024095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2876.024095 (E_RNA)
where:
Base-Base interactions energy: -1985.405
where: short stacking energy: -779.783
Base-Backbone interact. energy: 4.254
local terms energy: -894.873076
where:
bonds (distance) C4'-P energy: -171.888
bonds (distance) P-C4' energy: -190.677
flat angles C4'-P-C4' energy: -200.961
flat angles P-C4'-P energy: -114.653
tors. eta vs tors. theta energy: -216.694
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: 2, replica: 5
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -2784.473737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2784.473737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2784.473737 (E_RNA)
where:
Base-Base interactions energy: -1880.962
where: short stacking energy: -824.705
Base-Backbone interact. energy: -0.745
local terms energy: -902.766451
where:
bonds (distance) C4'-P energy: -165.204
bonds (distance) P-C4' energy: -165.440
flat angles C4'-P-C4' energy: -202.389
flat angles P-C4'-P energy: -128.800
tors. eta vs tors. theta energy: -240.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -2485.970176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2485.970176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2485.970176 (E_RNA)
where:
Base-Base interactions energy: -1638.285
where: short stacking energy: -747.276
Base-Backbone interact. energy: -1.607
local terms energy: -846.078716
where:
bonds (distance) C4'-P energy: -176.134
bonds (distance) P-C4' energy: -152.202
flat angles C4'-P-C4' energy: -184.876
flat angles P-C4'-P energy: -125.664
tors. eta vs tors. theta energy: -207.203
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: 7
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -2400.381699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2400.381699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2400.381699 (E_RNA)
where:
Base-Base interactions energy: -1613.498
where: short stacking energy: -675.738
Base-Backbone interact. energy: -2.160
local terms energy: -784.723746
where:
bonds (distance) C4'-P energy: -147.479
bonds (distance) P-C4' energy: -158.169
flat angles C4'-P-C4' energy: -180.644
flat angles P-C4'-P energy: -104.436
tors. eta vs tors. theta energy: -193.996
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: 6
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -2128.592723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2128.592723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2128.592723 (E_RNA)
where:
Base-Base interactions energy: -1404.257
where: short stacking energy: -573.855
Base-Backbone interact. energy: 0.947
local terms energy: -725.282604
where:
bonds (distance) C4'-P energy: -148.371
bonds (distance) P-C4' energy: -157.175
flat angles C4'-P-C4' energy: -180.574
flat angles P-C4'-P energy: -99.557
tors. eta vs tors. theta energy: -139.605
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: 1
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -1756.599572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.599572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.599572 (E_RNA)
where:
Base-Base interactions energy: -1108.611
where: short stacking energy: -515.312
Base-Backbone interact. energy: 2.098
local terms energy: -650.086552
where:
bonds (distance) C4'-P energy: -136.059
bonds (distance) P-C4' energy: -160.273
flat angles C4'-P-C4' energy: -159.595
flat angles P-C4'-P energy: -97.307
tors. eta vs tors. theta energy: -96.853
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: 8
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -1549.453661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.453661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.453661 (E_RNA)
where:
Base-Base interactions energy: -920.883
where: short stacking energy: -406.879
Base-Backbone interact. energy: -0.107
local terms energy: -628.463467
where:
bonds (distance) C4'-P energy: -162.707
bonds (distance) P-C4' energy: -160.429
flat angles C4'-P-C4' energy: -159.417
flat angles P-C4'-P energy: -78.786
tors. eta vs tors. theta energy: -67.124
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: 2
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -1236.871219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.871219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.871219 (E_RNA)
where:
Base-Base interactions energy: -686.704
where: short stacking energy: -331.340
Base-Backbone interact. energy: 2.654
local terms energy: -552.821974
where:
bonds (distance) C4'-P energy: -145.638
bonds (distance) P-C4' energy: -155.590
flat angles C4'-P-C4' energy: -138.605
flat angles P-C4'-P energy: -84.203
tors. eta vs tors. theta energy: -28.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -854.172390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.172390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.172390 (E_RNA)
where:
Base-Base interactions energy: -376.383
where: short stacking energy: -228.815
Base-Backbone interact. energy: 6.046
local terms energy: -483.835367
where:
bonds (distance) C4'-P energy: -173.916
bonds (distance) P-C4' energy: -154.310
flat angles C4'-P-C4' energy: -107.869
flat angles P-C4'-P energy: -80.026
tors. eta vs tors. theta energy: 32.287
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: 4
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -665.955981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.955981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.955981 (E_RNA)
where:
Base-Base interactions energy: -258.997
where: short stacking energy: -186.324
Base-Backbone interact. energy: 5.782
local terms energy: -412.741565
where:
bonds (distance) C4'-P energy: -136.059
bonds (distance) P-C4' energy: -139.180
flat angles C4'-P-C4' energy: -111.433
flat angles P-C4'-P energy: -63.913
tors. eta vs tors. theta energy: 37.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -2905.527878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2905.527878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2905.527878 (E_RNA)
where:
Base-Base interactions energy: -2010.425
where: short stacking energy: -839.296
Base-Backbone interact. energy: -4.171
local terms energy: -890.931463
where:
bonds (distance) C4'-P energy: -170.335
bonds (distance) P-C4' energy: -182.644
flat angles C4'-P-C4' energy: -200.833
flat angles P-C4'-P energy: -114.634
tors. eta vs tors. theta energy: -222.485
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: 5
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -2769.886698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2769.886698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2769.886698 (E_RNA)
where:
Base-Base interactions energy: -1884.854
where: short stacking energy: -811.460
Base-Backbone interact. energy: -1.920
local terms energy: -883.112746
where:
bonds (distance) C4'-P energy: -173.312
bonds (distance) P-C4' energy: -167.329
flat angles C4'-P-C4' energy: -188.686
flat angles P-C4'-P energy: -119.240
tors. eta vs tors. theta energy: -234.546
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: 3, replica: 10
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -2523.987622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2523.987622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2523.987622 (E_RNA)
where:
Base-Base interactions energy: -1660.251
where: short stacking energy: -746.957
Base-Backbone interact. energy: -3.441
local terms energy: -860.295622
where:
bonds (distance) C4'-P energy: -165.710
bonds (distance) P-C4' energy: -170.914
flat angles C4'-P-C4' energy: -177.231
flat angles P-C4'-P energy: -127.185
tors. eta vs tors. theta energy: -219.257
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: 7
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -2384.796565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2384.796565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2384.796565 (E_RNA)
where:
Base-Base interactions energy: -1567.102
where: short stacking energy: -696.270
Base-Backbone interact. energy: -0.224
local terms energy: -817.470683
where:
bonds (distance) C4'-P energy: -165.964
bonds (distance) P-C4' energy: -143.484
flat angles C4'-P-C4' energy: -196.121
flat angles P-C4'-P energy: -113.366
tors. eta vs tors. theta energy: -198.536
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: 5, replica: 6
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -2105.758598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.758598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.758598 (E_RNA)
where:
Base-Base interactions energy: -1337.870
where: short stacking energy: -610.923
Base-Backbone interact. energy: -3.582
local terms energy: -764.306719
where:
bonds (distance) C4'-P energy: -157.219
bonds (distance) P-C4' energy: -177.366
flat angles C4'-P-C4' energy: -164.014
flat angles P-C4'-P energy: -116.522
tors. eta vs tors. theta energy: -149.185
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: 1
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -1840.061786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.061786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.061786 (E_RNA)
where:
Base-Base interactions energy: -1168.303
where: short stacking energy: -517.081
Base-Backbone interact. energy: 0.192
local terms energy: -671.950745
where:
bonds (distance) C4'-P energy: -142.024
bonds (distance) P-C4' energy: -170.375
flat angles C4'-P-C4' energy: -155.964
flat angles P-C4'-P energy: -115.161
tors. eta vs tors. theta energy: -88.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -1503.447413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.447413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.447413 (E_RNA)
where:
Base-Base interactions energy: -894.028
where: short stacking energy: -410.968
Base-Backbone interact. energy: -0.297
local terms energy: -609.122298
where:
bonds (distance) C4'-P energy: -137.512
bonds (distance) P-C4' energy: -155.033
flat angles C4'-P-C4' energy: -146.692
flat angles P-C4'-P energy: -96.113
tors. eta vs tors. theta energy: -73.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -1222.305487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.305487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.305487 (E_RNA)
where:
Base-Base interactions energy: -655.240
where: short stacking energy: -341.070
Base-Backbone interact. energy: 0.233
local terms energy: -567.298992
where:
bonds (distance) C4'-P energy: -131.038
bonds (distance) P-C4' energy: -147.165
flat angles C4'-P-C4' energy: -143.998
flat angles P-C4'-P energy: -89.721
tors. eta vs tors. theta energy: -55.376
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: 9
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -886.616312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.616312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.616312 (E_RNA)
where:
Base-Base interactions energy: -405.484
where: short stacking energy: -224.057
Base-Backbone interact. energy: 5.042
local terms energy: -486.174635
where:
bonds (distance) C4'-P energy: -155.244
bonds (distance) P-C4' energy: -143.778
flat angles C4'-P-C4' energy: -137.515
flat angles P-C4'-P energy: -70.919
tors. eta vs tors. theta energy: 21.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -700.324257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.324257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.324257 (E_RNA)
where:
Base-Base interactions energy: -284.590
where: short stacking energy: -195.378
Base-Backbone interact. energy: -1.380
local terms energy: -414.353977
where:
bonds (distance) C4'-P energy: -136.243
bonds (distance) P-C4' energy: -131.781
flat angles C4'-P-C4' energy: -111.328
flat angles P-C4'-P energy: -70.822
tors. eta vs tors. theta energy: 35.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -2896.821126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2896.821126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2896.821126 (E_RNA)
where:
Base-Base interactions energy: -1992.104
where: short stacking energy: -792.619
Base-Backbone interact. energy: -5.512
local terms energy: -899.205636
where:
bonds (distance) C4'-P energy: -173.778
bonds (distance) P-C4' energy: -173.343
flat angles C4'-P-C4' energy: -195.672
flat angles P-C4'-P energy: -121.822
tors. eta vs tors. theta energy: -234.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -2748.954950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2748.954950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2748.954950 (E_RNA)
where:
Base-Base interactions energy: -1889.673
where: short stacking energy: -826.654
Base-Backbone interact. energy: -4.473
local terms energy: -854.808686
where:
bonds (distance) C4'-P energy: -179.141
bonds (distance) P-C4' energy: -157.579
flat angles C4'-P-C4' energy: -201.574
flat angles P-C4'-P energy: -98.641
tors. eta vs tors. theta energy: -217.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -2508.421675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2508.421675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2508.421675 (E_RNA)
where:
Base-Base interactions energy: -1690.353
where: short stacking energy: -763.723
Base-Backbone interact. energy: -1.767
local terms energy: -816.301858
where:
bonds (distance) C4'-P energy: -151.693
bonds (distance) P-C4' energy: -156.375
flat angles C4'-P-C4' energy: -174.815
flat angles P-C4'-P energy: -125.374
tors. eta vs tors. theta energy: -208.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -2416.413949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2416.413949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2416.413949 (E_RNA)
where:
Base-Base interactions energy: -1628.643
where: short stacking energy: -708.825
Base-Backbone interact. energy: -1.969
local terms energy: -785.802069
where:
bonds (distance) C4'-P energy: -146.049
bonds (distance) P-C4' energy: -163.742
flat angles C4'-P-C4' energy: -173.144
flat angles P-C4'-P energy: -108.380
tors. eta vs tors. theta energy: -194.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -2056.874662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2056.874662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.874662 (E_RNA)
where:
Base-Base interactions energy: -1328.166
where: short stacking energy: -587.815
Base-Backbone interact. energy: 2.223
local terms energy: -730.931734
where:
bonds (distance) C4'-P energy: -154.444
bonds (distance) P-C4' energy: -151.279
flat angles C4'-P-C4' energy: -168.823
flat angles P-C4'-P energy: -103.929
tors. eta vs tors. theta energy: -152.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -1837.659210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.659210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.659210 (E_RNA)
where:
Base-Base interactions energy: -1170.002
where: short stacking energy: -485.359
Base-Backbone interact. energy: -5.224
local terms energy: -662.433147
where:
bonds (distance) C4'-P energy: -149.853
bonds (distance) P-C4' energy: -156.718
flat angles C4'-P-C4' energy: -156.060
flat angles P-C4'-P energy: -87.046
tors. eta vs tors. theta energy: -112.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -1582.702880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.702880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.702880 (E_RNA)
where:
Base-Base interactions energy: -933.892
where: short stacking energy: -450.770
Base-Backbone interact. energy: -0.294
local terms energy: -648.517340
where:
bonds (distance) C4'-P energy: -147.859
bonds (distance) P-C4' energy: -160.659
flat angles C4'-P-C4' energy: -159.431
flat angles P-C4'-P energy: -84.233
tors. eta vs tors. theta energy: -96.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -1137.794354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.794354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.794354 (E_RNA)
where:
Base-Base interactions energy: -606.811
where: short stacking energy: -306.773
Base-Backbone interact. energy: -1.539
local terms energy: -529.595717
where:
bonds (distance) C4'-P energy: -146.918
bonds (distance) P-C4' energy: -151.150
flat angles C4'-P-C4' energy: -139.078
flat angles P-C4'-P energy: -85.146
tors. eta vs tors. theta energy: -7.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.152 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -907.881776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.881776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.881776 (E_RNA)
where:
Base-Base interactions energy: -415.348
where: short stacking energy: -267.449
Base-Backbone interact. energy: -1.668
local terms energy: -490.866275
where:
bonds (distance) C4'-P energy: -129.114
bonds (distance) P-C4' energy: -163.473
flat angles C4'-P-C4' energy: -123.931
flat angles P-C4'-P energy: -81.909
tors. eta vs tors. theta energy: 7.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -660.839641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.839641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.839641 (E_RNA)
where:
Base-Base interactions energy: -257.659
where: short stacking energy: -195.978
Base-Backbone interact. energy: -0.360
local terms energy: -402.820477
where:
bonds (distance) C4'-P energy: -127.748
bonds (distance) P-C4' energy: -145.102
flat angles C4'-P-C4' energy: -95.345
flat angles P-C4'-P energy: -75.486
tors. eta vs tors. theta energy: 40.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -2937.156019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2937.156019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2937.156019 (E_RNA)
where:
Base-Base interactions energy: -2004.558
where: short stacking energy: -789.257
Base-Backbone interact. energy: -3.031
local terms energy: -929.567143
where:
bonds (distance) C4'-P energy: -175.949
bonds (distance) P-C4' energy: -184.735
flat angles C4'-P-C4' energy: -204.957
flat angles P-C4'-P energy: -132.291
tors. eta vs tors. theta energy: -231.636
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: 5
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -2723.078578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2723.078578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2723.078578 (E_RNA)
where:
Base-Base interactions energy: -1848.106
where: short stacking energy: -805.524
Base-Backbone interact. energy: -2.315
local terms energy: -872.657383
where:
bonds (distance) C4'-P energy: -150.070
bonds (distance) P-C4' energy: -180.954
flat angles C4'-P-C4' energy: -187.664
flat angles P-C4'-P energy: -115.988
tors. eta vs tors. theta energy: -237.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -2471.582143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2471.582143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2471.582143 (E_RNA)
where:
Base-Base interactions energy: -1607.888
where: short stacking energy: -712.619
Base-Backbone interact. energy: -2.184
local terms energy: -861.510460
where:
bonds (distance) C4'-P energy: -174.827
bonds (distance) P-C4' energy: -168.909
flat angles C4'-P-C4' energy: -189.082
flat angles P-C4'-P energy: -119.116
tors. eta vs tors. theta energy: -209.577
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: 4, replica: 7
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -2391.088364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2391.088364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2391.088364 (E_RNA)
where:
Base-Base interactions energy: -1547.786
where: short stacking energy: -666.990
Base-Backbone interact. energy: -0.363
local terms energy: -842.938858
where:
bonds (distance) C4'-P energy: -155.663
bonds (distance) P-C4' energy: -186.586
flat angles C4'-P-C4' energy: -198.728
flat angles P-C4'-P energy: -113.849
tors. eta vs tors. theta energy: -188.113
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: 6
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -2082.954450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.954450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.954450 (E_RNA)
where:
Base-Base interactions energy: -1358.498
where: short stacking energy: -593.003
Base-Backbone interact. energy: -2.882
local terms energy: -721.574414
where:
bonds (distance) C4'-P energy: -157.080
bonds (distance) P-C4' energy: -158.221
flat angles C4'-P-C4' energy: -160.248
flat angles P-C4'-P energy: -90.138
tors. eta vs tors. theta energy: -155.888
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: 1
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -1841.533743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.533743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.533743 (E_RNA)
where:
Base-Base interactions energy: -1142.190
where: short stacking energy: -516.952
Base-Backbone interact. energy: -3.077
local terms energy: -696.267179
where:
bonds (distance) C4'-P energy: -153.380
bonds (distance) P-C4' energy: -163.294
flat angles C4'-P-C4' energy: -165.826
flat angles P-C4'-P energy: -109.127
tors. eta vs tors. theta energy: -104.640
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: 8
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -1532.700984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.700984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.700984 (E_RNA)
where:
Base-Base interactions energy: -981.126
where: short stacking energy: -463.861
Base-Backbone interact. energy: 7.390
local terms energy: -558.965483
where:
bonds (distance) C4'-P energy: -138.389
bonds (distance) P-C4' energy: -130.291
flat angles C4'-P-C4' energy: -139.965
flat angles P-C4'-P energy: -80.476
tors. eta vs tors. theta energy: -69.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -1066.321346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.321346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.321346 (E_RNA)
where:
Base-Base interactions energy: -529.269
where: short stacking energy: -284.820
Base-Backbone interact. energy: -1.838
local terms energy: -535.214539
where:
bonds (distance) C4'-P energy: -132.709
bonds (distance) P-C4' energy: -163.183
flat angles C4'-P-C4' energy: -137.958
flat angles P-C4'-P energy: -88.616
tors. eta vs tors. theta energy: -12.748
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: 9, replica: 9
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -985.783998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.783998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.783998 (E_RNA)
where:
Base-Base interactions energy: -488.354
where: short stacking energy: -294.330
Base-Backbone interact. energy: 2.778
local terms energy: -500.207937
where:
bonds (distance) C4'-P energy: -145.921
bonds (distance) P-C4' energy: -152.670
flat angles C4'-P-C4' energy: -131.532
flat angles P-C4'-P energy: -68.478
tors. eta vs tors. theta energy: -1.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -744.406062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.406062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.406062 (E_RNA)
where:
Base-Base interactions energy: -315.666
where: short stacking energy: -208.298
Base-Backbone interact. energy: -0.415
local terms energy: -428.325309
where:
bonds (distance) C4'-P energy: -134.263
bonds (distance) P-C4' energy: -143.345
flat angles C4'-P-C4' energy: -110.572
flat angles P-C4'-P energy: -66.343
tors. eta vs tors. theta energy: 26.197
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: 3
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -2937.533128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2937.533128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2937.533128 (E_RNA)
where:
Base-Base interactions energy: -2043.050
where: short stacking energy: -834.563
Base-Backbone interact. energy: 0.161
local terms energy: -894.644565
where:
bonds (distance) C4'-P energy: -165.969
bonds (distance) P-C4' energy: -169.984
flat angles C4'-P-C4' energy: -191.322
flat angles P-C4'-P energy: -135.441
tors. eta vs tors. theta energy: -231.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -2727.545778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2727.545778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2727.545778 (E_RNA)
where:
Base-Base interactions energy: -1841.539
where: short stacking energy: -800.789
Base-Backbone interact. energy: -4.983
local terms energy: -881.023779
where:
bonds (distance) C4'-P energy: -176.690
bonds (distance) P-C4' energy: -161.051
flat angles C4'-P-C4' energy: -194.374
flat angles P-C4'-P energy: -114.030
tors. eta vs tors. theta energy: -234.880
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: 126
Temperature: 1.000000
Total energy: -2542.714671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2542.714671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2542.714671 (E_RNA)
where:
Base-Base interactions energy: -1674.799
where: short stacking energy: -743.817
Base-Backbone interact. energy: -1.661
local terms energy: -866.253847
where:
bonds (distance) C4'-P energy: -169.013
bonds (distance) P-C4' energy: -170.282
flat angles C4'-P-C4' energy: -189.978
flat angles P-C4'-P energy: -113.954
tors. eta vs tors. theta energy: -223.027
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: 7
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -2375.482153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2375.482153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2375.482153 (E_RNA)
where:
Base-Base interactions energy: -1594.867
where: short stacking energy: -684.348
Base-Backbone interact. energy: -2.071
local terms energy: -778.543628
where:
bonds (distance) C4'-P energy: -171.992
bonds (distance) P-C4' energy: -150.210
flat angles C4'-P-C4' energy: -182.363
flat angles P-C4'-P energy: -93.124
tors. eta vs tors. theta energy: -180.854
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: 6
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -2165.319554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.319554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.319554 (E_RNA)
where:
Base-Base interactions energy: -1422.365
where: short stacking energy: -618.869
Base-Backbone interact. energy: -0.488
local terms energy: -742.466246
where:
bonds (distance) C4'-P energy: -153.796
bonds (distance) P-C4' energy: -164.624
flat angles C4'-P-C4' energy: -152.674
flat angles P-C4'-P energy: -111.238
tors. eta vs tors. theta energy: -160.134
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: 6, replica: 1
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -1809.036881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.036881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.036881 (E_RNA)
where:
Base-Base interactions energy: -1145.198
where: short stacking energy: -494.639
Base-Backbone interact. energy: -0.668
local terms energy: -663.170913
where:
bonds (distance) C4'-P energy: -149.768
bonds (distance) P-C4' energy: -168.778
flat angles C4'-P-C4' energy: -157.086
flat angles P-C4'-P energy: -84.205
tors. eta vs tors. theta energy: -103.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -1499.090290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.090290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1499.090290 (E_RNA)
where:
Base-Base interactions energy: -900.178
where: short stacking energy: -421.471
Base-Backbone interact. energy: -2.344
local terms energy: -596.568968
where:
bonds (distance) C4'-P energy: -163.424
bonds (distance) P-C4' energy: -144.159
flat angles C4'-P-C4' energy: -145.361
flat angles P-C4'-P energy: -77.867
tors. eta vs tors. theta energy: -65.758
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: 8, replica: 2
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -1044.566249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.566249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.566249 (E_RNA)
where:
Base-Base interactions energy: -521.815
where: short stacking energy: -303.923
Base-Backbone interact. energy: 1.025
local terms energy: -523.776986
where:
bonds (distance) C4'-P energy: -141.206
bonds (distance) P-C4' energy: -150.388
flat angles C4'-P-C4' energy: -142.705
flat angles P-C4'-P energy: -72.835
tors. eta vs tors. theta energy: -16.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -989.985314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.985314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.985314 (E_RNA)
where:
Base-Base interactions energy: -515.631
where: short stacking energy: -278.575
Base-Backbone interact. energy: -0.476
local terms energy: -473.878951
where:
bonds (distance) C4'-P energy: -143.258
bonds (distance) P-C4' energy: -149.635
flat angles C4'-P-C4' energy: -97.763
flat angles P-C4'-P energy: -83.216
tors. eta vs tors. theta energy: -0.006
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: 10, replica: 4
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -783.014562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.014562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.014562 (E_RNA)
where:
Base-Base interactions energy: -317.475
where: short stacking energy: -210.026
Base-Backbone interact. energy: -0.847
local terms energy: -464.691907
where:
bonds (distance) C4'-P energy: -128.392
bonds (distance) P-C4' energy: -155.043
flat angles C4'-P-C4' energy: -128.149
flat angles P-C4'-P energy: -66.194
tors. eta vs tors. theta energy: 13.085
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: 127
Temperature: 0.900000
Total energy: -2908.598287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2908.598287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2908.598287 (E_RNA)
where:
Base-Base interactions energy: -1962.307
where: short stacking energy: -802.090
Base-Backbone interact. energy: -5.410
local terms energy: -940.881428
where:
bonds (distance) C4'-P energy: -194.331
bonds (distance) P-C4' energy: -177.760
flat angles C4'-P-C4' energy: -185.828
flat angles P-C4'-P energy: -131.795
tors. eta vs tors. theta energy: -251.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -2762.032653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2762.032653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2762.032653 (E_RNA)
where:
Base-Base interactions energy: -1865.980
where: short stacking energy: -824.379
Base-Backbone interact. energy: 1.123
local terms energy: -897.175503
where:
bonds (distance) C4'-P energy: -166.867
bonds (distance) P-C4' energy: -180.769
flat angles C4'-P-C4' energy: -185.253
flat angles P-C4'-P energy: -121.629
tors. eta vs tors. theta energy: -242.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -2539.398352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2539.398352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2539.398352 (E_RNA)
where:
Base-Base interactions energy: -1715.437
where: short stacking energy: -762.094
Base-Backbone interact. energy: -0.928
local terms energy: -823.033864
where:
bonds (distance) C4'-P energy: -157.186
bonds (distance) P-C4' energy: -154.121
flat angles C4'-P-C4' energy: -187.189
flat angles P-C4'-P energy: -105.088
tors. eta vs tors. theta energy: -219.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -2375.984635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2375.984635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2375.984635 (E_RNA)
where:
Base-Base interactions energy: -1531.897
where: short stacking energy: -667.447
Base-Backbone interact. energy: -2.662
local terms energy: -841.425654
where:
bonds (distance) C4'-P energy: -158.131
bonds (distance) P-C4' energy: -190.226
flat angles C4'-P-C4' energy: -168.948
flat angles P-C4'-P energy: -130.880
tors. eta vs tors. theta energy: -193.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -2187.750854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.750854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.750854 (E_RNA)
where:
Base-Base interactions energy: -1429.595
where: short stacking energy: -623.886
Base-Backbone interact. energy: -2.610
local terms energy: -755.546013
where:
bonds (distance) C4'-P energy: -161.368
bonds (distance) P-C4' energy: -167.026
flat angles C4'-P-C4' energy: -176.702
flat angles P-C4'-P energy: -90.260
tors. eta vs tors. theta energy: -160.190
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: 1
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -1880.450845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.450845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.450845 (E_RNA)
where:
Base-Base interactions energy: -1205.718
where: short stacking energy: -572.444
Base-Backbone interact. energy: -3.340
local terms energy: -671.393018
where:
bonds (distance) C4'-P energy: -140.203
bonds (distance) P-C4' energy: -155.028
flat angles C4'-P-C4' energy: -159.071
flat angles P-C4'-P energy: -89.828
tors. eta vs tors. theta energy: -127.263
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: 8
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -1595.239786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.239786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.239786 (E_RNA)
where:
Base-Base interactions energy: -933.518
where: short stacking energy: -434.283
Base-Backbone interact. energy: 5.644
local terms energy: -667.366272
where:
bonds (distance) C4'-P energy: -154.715
bonds (distance) P-C4' energy: -169.492
flat angles C4'-P-C4' energy: -166.675
flat angles P-C4'-P energy: -89.874
tors. eta vs tors. theta energy: -86.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -1103.368294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.368294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.368294 (E_RNA)
where:
Base-Base interactions energy: -547.820
where: short stacking energy: -309.272
Base-Backbone interact. energy: 0.817
local terms energy: -556.365639
where:
bonds (distance) C4'-P energy: -128.846
bonds (distance) P-C4' energy: -169.179
flat angles C4'-P-C4' energy: -130.202
flat angles P-C4'-P energy: -92.684
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: 9, replica: 2
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -972.605858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.605858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.605858 (E_RNA)
where:
Base-Base interactions energy: -466.233
where: short stacking energy: -239.367
Base-Backbone interact. energy: -0.280
local terms energy: -506.092883
where:
bonds (distance) C4'-P energy: -139.637
bonds (distance) P-C4' energy: -168.012
flat angles C4'-P-C4' energy: -130.148
flat angles P-C4'-P energy: -67.040
tors. eta vs tors. theta energy: -1.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -775.846887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.846887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.846887 (E_RNA)
where:
Base-Base interactions energy: -346.159
where: short stacking energy: -202.796
Base-Backbone interact. energy: 2.993
local terms energy: -432.680084
where:
bonds (distance) C4'-P energy: -128.962
bonds (distance) P-C4' energy: -153.759
flat angles C4'-P-C4' energy: -103.295
flat angles P-C4'-P energy: -65.044
tors. eta vs tors. theta energy: 18.379
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: 1, replica: 3
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -2921.899510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2921.899510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2921.899510 (E_RNA)
where:
Base-Base interactions energy: -2027.957
where: short stacking energy: -802.172
Base-Backbone interact. energy: -3.943
local terms energy: -889.999630
where:
bonds (distance) C4'-P energy: -171.992
bonds (distance) P-C4' energy: -162.810
flat angles C4'-P-C4' energy: -192.898
flat angles P-C4'-P energy: -127.657
tors. eta vs tors. theta energy: -234.642
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: 128
Temperature: 0.950000
Total energy: -2699.996133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2699.996133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2699.996133 (E_RNA)
where:
Base-Base interactions energy: -1811.364
where: short stacking energy: -767.914
Base-Backbone interact. energy: 0.399
local terms energy: -889.031551
where:
bonds (distance) C4'-P energy: -173.249
bonds (distance) P-C4' energy: -178.121
flat angles C4'-P-C4' energy: -184.330
flat angles P-C4'-P energy: -127.921
tors. eta vs tors. theta energy: -225.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -2506.250169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2506.250169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2506.250169 (E_RNA)
where:
Base-Base interactions energy: -1629.082
where: short stacking energy: -751.025
Base-Backbone interact. energy: -3.145
local terms energy: -874.023412
where:
bonds (distance) C4'-P energy: -167.614
bonds (distance) P-C4' energy: -171.940
flat angles C4'-P-C4' energy: -190.613
flat angles P-C4'-P energy: -127.877
tors. eta vs tors. theta energy: -215.980
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: 7
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -2381.109784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2381.109784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2381.109784 (E_RNA)
where:
Base-Base interactions energy: -1551.692
where: short stacking energy: -701.486
Base-Backbone interact. energy: -1.952
local terms energy: -827.465265
where:
bonds (distance) C4'-P energy: -160.993
bonds (distance) P-C4' energy: -152.283
flat angles C4'-P-C4' energy: -196.171
flat angles P-C4'-P energy: -108.736
tors. eta vs tors. theta energy: -209.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -2239.760726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2239.760726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2239.760726 (E_RNA)
where:
Base-Base interactions energy: -1466.511
where: short stacking energy: -639.006
Base-Backbone interact. energy: -2.820
local terms energy: -770.429302
where:
bonds (distance) C4'-P energy: -157.423
bonds (distance) P-C4' energy: -169.101
flat angles C4'-P-C4' energy: -181.228
flat angles P-C4'-P energy: -112.348
tors. eta vs tors. theta energy: -150.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -1894.536354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.536354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.536354 (E_RNA)
where:
Base-Base interactions energy: -1202.423
where: short stacking energy: -539.761
Base-Backbone interact. energy: -1.514
local terms energy: -690.599231
where:
bonds (distance) C4'-P energy: -156.471
bonds (distance) P-C4' energy: -163.822
flat angles C4'-P-C4' energy: -155.033
flat angles P-C4'-P energy: -79.338
tors. eta vs tors. theta energy: -135.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -1605.770767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.770767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.770767 (E_RNA)
where:
Base-Base interactions energy: -955.117
where: short stacking energy: -468.985
Base-Backbone interact. energy: -1.860
local terms energy: -648.793826
where:
bonds (distance) C4'-P energy: -140.217
bonds (distance) P-C4' energy: -166.608
flat angles C4'-P-C4' energy: -149.178
flat angles P-C4'-P energy: -84.580
tors. eta vs tors. theta energy: -108.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -1050.417877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.417877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.417877 (E_RNA)
where:
Base-Base interactions energy: -512.792
where: short stacking energy: -263.243
Base-Backbone interact. energy: -5.562
local terms energy: -532.063904
where:
bonds (distance) C4'-P energy: -144.019
bonds (distance) P-C4' energy: -156.468
flat angles C4'-P-C4' energy: -122.533
flat angles P-C4'-P energy: -84.777
tors. eta vs tors. theta energy: -24.266
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: 9, replica: 2
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -997.572215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.572215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.572215 (E_RNA)
where:
Base-Base interactions energy: -491.688
where: short stacking energy: -271.422
Base-Backbone interact. energy: 1.112
local terms energy: -506.996378
where:
bonds (distance) C4'-P energy: -156.684
bonds (distance) P-C4' energy: -141.678
flat angles C4'-P-C4' energy: -124.015
flat angles P-C4'-P energy: -70.215
tors. eta vs tors. theta energy: -14.404
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: 10, replica: 4
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -742.779751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.779751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.779751 (E_RNA)
where:
Base-Base interactions energy: -346.135
where: short stacking energy: -200.174
Base-Backbone interact. energy: 12.889
local terms energy: -409.534211
where:
bonds (distance) C4'-P energy: -138.398
bonds (distance) P-C4' energy: -149.870
flat angles C4'-P-C4' energy: -108.562
flat angles P-C4'-P energy: -44.717
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: 1, replica: 3
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -2924.586373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2924.586373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2924.586373 (E_RNA)
where:
Base-Base interactions energy: -2026.351
where: short stacking energy: -806.960
Base-Backbone interact. energy: -5.295
local terms energy: -892.939921
where:
bonds (distance) C4'-P energy: -179.386
bonds (distance) P-C4' energy: -165.274
flat angles C4'-P-C4' energy: -180.497
flat angles P-C4'-P energy: -137.369
tors. eta vs tors. theta energy: -230.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -2710.048276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2710.048276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2710.048276 (E_RNA)
where:
Base-Base interactions energy: -1839.656
where: short stacking energy: -769.732
Base-Backbone interact. energy: -1.698
local terms energy: -868.694858
where:
bonds (distance) C4'-P energy: -173.059
bonds (distance) P-C4' energy: -174.774
flat angles C4'-P-C4' energy: -178.214
flat angles P-C4'-P energy: -125.661
tors. eta vs tors. theta energy: -216.986
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: 3, replica: 10
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -2511.461502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2511.461502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2511.461502 (E_RNA)
where:
Base-Base interactions energy: -1651.671
where: short stacking energy: -717.422
Base-Backbone interact. energy: -2.181
local terms energy: -857.608847
where:
bonds (distance) C4'-P energy: -164.252
bonds (distance) P-C4' energy: -178.355
flat angles C4'-P-C4' energy: -172.251
flat angles P-C4'-P energy: -124.748
tors. eta vs tors. theta energy: -218.002
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: 7
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -2364.330204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2364.330204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2364.330204 (E_RNA)
where:
Base-Base interactions energy: -1553.069
where: short stacking energy: -685.692
Base-Backbone interact. energy: -4.555
local terms energy: -806.706623
where:
bonds (distance) C4'-P energy: -158.687
bonds (distance) P-C4' energy: -166.211
flat angles C4'-P-C4' energy: -176.746
flat angles P-C4'-P energy: -102.526
tors. eta vs tors. theta energy: -202.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -2243.800531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2243.800531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2243.800531 (E_RNA)
where:
Base-Base interactions energy: -1463.690
where: short stacking energy: -641.205
Base-Backbone interact. energy: 0.127
local terms energy: -780.237998
where:
bonds (distance) C4'-P energy: -153.338
bonds (distance) P-C4' energy: -159.017
flat angles C4'-P-C4' energy: -182.852
flat angles P-C4'-P energy: -115.852
tors. eta vs tors. theta energy: -169.179
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: 1
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -1937.698484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.698484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.698484 (E_RNA)
where:
Base-Base interactions energy: -1258.690
where: short stacking energy: -558.833
Base-Backbone interact. energy: 0.626
local terms energy: -679.634313
where:
bonds (distance) C4'-P energy: -137.947
bonds (distance) P-C4' energy: -160.910
flat angles C4'-P-C4' energy: -150.445
flat angles P-C4'-P energy: -87.540
tors. eta vs tors. theta energy: -142.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -1608.582924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.582924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.582924 (E_RNA)
where:
Base-Base interactions energy: -969.560
where: short stacking energy: -443.090
Base-Backbone interact. energy: -1.401
local terms energy: -637.622468
where:
bonds (distance) C4'-P energy: -159.982
bonds (distance) P-C4' energy: -152.623
flat angles C4'-P-C4' energy: -161.972
flat angles P-C4'-P energy: -85.069
tors. eta vs tors. theta energy: -77.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -1074.539669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.539669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.539669 (E_RNA)
where:
Base-Base interactions energy: -551.870
where: short stacking energy: -318.400
Base-Backbone interact. energy: 1.687
local terms energy: -524.356210
where:
bonds (distance) C4'-P energy: -148.725
bonds (distance) P-C4' energy: -145.627
flat angles C4'-P-C4' energy: -125.529
flat angles P-C4'-P energy: -71.652
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: 9
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -985.478913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.478913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.478913 (E_RNA)
where:
Base-Base interactions energy: -473.297
where: short stacking energy: -263.261
Base-Backbone interact. energy: 2.681
local terms energy: -514.862263
where:
bonds (distance) C4'-P energy: -153.175
bonds (distance) P-C4' energy: -153.065
flat angles C4'-P-C4' energy: -122.638
flat angles P-C4'-P energy: -74.838
tors. eta vs tors. theta energy: -11.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -730.092620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.092620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.092620 (E_RNA)
where:
Base-Base interactions energy: -310.690
where: short stacking energy: -190.505
Base-Backbone interact. energy: -0.540
local terms energy: -418.861898
where:
bonds (distance) C4'-P energy: -132.119
bonds (distance) P-C4' energy: -128.123
flat angles C4'-P-C4' energy: -129.206
flat angles P-C4'-P energy: -57.719
tors. eta vs tors. theta energy: 28.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -2913.707501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2913.707501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2913.707501 (E_RNA)
where:
Base-Base interactions energy: -2020.716
where: short stacking energy: -818.020
Base-Backbone interact. energy: 1.197
local terms energy: -894.188093
where:
bonds (distance) C4'-P energy: -167.076
bonds (distance) P-C4' energy: -154.384
flat angles C4'-P-C4' energy: -202.203
flat angles P-C4'-P energy: -131.101
tors. eta vs tors. theta energy: -239.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -2696.724135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2696.724135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2696.724135 (E_RNA)
where:
Base-Base interactions energy: -1822.763
where: short stacking energy: -791.391
Base-Backbone interact. energy: -2.242
local terms energy: -871.719189
where:
bonds (distance) C4'-P energy: -162.568
bonds (distance) P-C4' energy: -187.898
flat angles C4'-P-C4' energy: -173.527
flat angles P-C4'-P energy: -111.791
tors. eta vs tors. theta energy: -235.936
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: 10
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -2532.266172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2532.266172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2532.266172 (E_RNA)
where:
Base-Base interactions energy: -1664.162
where: short stacking energy: -740.419
Base-Backbone interact. energy: 2.088
local terms energy: -870.192170
where:
bonds (distance) C4'-P energy: -174.733
bonds (distance) P-C4' energy: -162.556
flat angles C4'-P-C4' energy: -206.075
flat angles P-C4'-P energy: -118.707
tors. eta vs tors. theta energy: -208.121
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: 4, replica: 7
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -2373.537528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2373.537528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2373.537528 (E_RNA)
where:
Base-Base interactions energy: -1568.491
where: short stacking energy: -713.795
Base-Backbone interact. energy: -3.158
local terms energy: -801.888249
where:
bonds (distance) C4'-P energy: -126.801
bonds (distance) P-C4' energy: -170.153
flat angles C4'-P-C4' energy: -171.407
flat angles P-C4'-P energy: -118.303
tors. eta vs tors. theta energy: -215.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -2200.031627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2200.031627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2200.031627 (E_RNA)
where:
Base-Base interactions energy: -1446.812
where: short stacking energy: -629.863
Base-Backbone interact. energy: 2.090
local terms energy: -755.310173
where:
bonds (distance) C4'-P energy: -144.295
bonds (distance) P-C4' energy: -158.513
flat angles C4'-P-C4' energy: -179.489
flat angles P-C4'-P energy: -106.348
tors. eta vs tors. theta energy: -166.665
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: 6, replica: 1
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -1956.373953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.373953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.373953 (E_RNA)
where:
Base-Base interactions energy: -1269.353
where: short stacking energy: -554.178
Base-Backbone interact. energy: -4.388
local terms energy: -682.632969
where:
bonds (distance) C4'-P energy: -132.422
bonds (distance) P-C4' energy: -166.085
flat angles C4'-P-C4' energy: -162.716
flat angles P-C4'-P energy: -105.281
tors. eta vs tors. theta energy: -116.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -1604.827014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.827014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.827014 (E_RNA)
where:
Base-Base interactions energy: -978.063
where: short stacking energy: -466.810
Base-Backbone interact. energy: -2.921
local terms energy: -623.842489
where:
bonds (distance) C4'-P energy: -137.404
bonds (distance) P-C4' energy: -163.040
flat angles C4'-P-C4' energy: -142.976
flat angles P-C4'-P energy: -94.899
tors. eta vs tors. theta energy: -85.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -1067.328709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.328709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.328709 (E_RNA)
where:
Base-Base interactions energy: -527.823
where: short stacking energy: -282.934
Base-Backbone interact. energy: 4.439
local terms energy: -543.944769
where:
bonds (distance) C4'-P energy: -157.297
bonds (distance) P-C4' energy: -151.741
flat angles C4'-P-C4' energy: -141.975
flat angles P-C4'-P energy: -83.747
tors. eta vs tors. theta energy: -9.185
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: 130
Temperature: 1.300000
Total energy: -1030.499279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.499279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.499279 (E_RNA)
where:
Base-Base interactions energy: -521.386
where: short stacking energy: -269.217
Base-Backbone interact. energy: 0.251
local terms energy: -509.364718
where:
bonds (distance) C4'-P energy: -144.763
bonds (distance) P-C4' energy: -162.257
flat angles C4'-P-C4' energy: -121.904
flat angles P-C4'-P energy: -73.394
tors. eta vs tors. theta energy: -7.046
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: 4
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -771.431392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.431392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.431392 (E_RNA)
where:
Base-Base interactions energy: -330.681
where: short stacking energy: -216.720
Base-Backbone interact. energy: -2.271
local terms energy: -438.479677
where:
bonds (distance) C4'-P energy: -145.384
bonds (distance) P-C4' energy: -144.864
flat angles C4'-P-C4' energy: -127.979
flat angles P-C4'-P energy: -55.462
tors. eta vs tors. theta energy: 35.209
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: 3
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -2920.727777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2920.727777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2920.727777 (E_RNA)
where:
Base-Base interactions energy: -1992.074
where: short stacking energy: -808.271
Base-Backbone interact. energy: -2.931
local terms energy: -925.723323
where:
bonds (distance) C4'-P energy: -182.982
bonds (distance) P-C4' energy: -175.675
flat angles C4'-P-C4' energy: -196.447
flat angles P-C4'-P energy: -134.698
tors. eta vs tors. theta energy: -235.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -2735.305533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2735.305533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2735.305533 (E_RNA)
where:
Base-Base interactions energy: -1862.707
where: short stacking energy: -793.483
Base-Backbone interact. energy: -2.298
local terms energy: -870.300546
where:
bonds (distance) C4'-P energy: -172.719
bonds (distance) P-C4' energy: -169.128
flat angles C4'-P-C4' energy: -170.391
flat angles P-C4'-P energy: -122.950
tors. eta vs tors. theta energy: -235.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -2517.080147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2517.080147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2517.080147 (E_RNA)
where:
Base-Base interactions energy: -1634.146
where: short stacking energy: -731.580
Base-Backbone interact. energy: -0.830
local terms energy: -882.104344
where:
bonds (distance) C4'-P energy: -188.478
bonds (distance) P-C4' energy: -173.617
flat angles C4'-P-C4' energy: -183.119
flat angles P-C4'-P energy: -123.402
tors. eta vs tors. theta energy: -213.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -2343.608651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2343.608651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2343.608651 (E_RNA)
where:
Base-Base interactions energy: -1520.811
where: short stacking energy: -676.672
Base-Backbone interact. energy: -3.145
local terms energy: -819.651941
where:
bonds (distance) C4'-P energy: -187.677
bonds (distance) P-C4' energy: -161.189
flat angles C4'-P-C4' energy: -162.416
flat angles P-C4'-P energy: -125.700
tors. eta vs tors. theta energy: -182.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -2152.875870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.875870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2152.875870 (E_RNA)
where:
Base-Base interactions energy: -1455.211
where: short stacking energy: -614.881
Base-Backbone interact. energy: 1.897
local terms energy: -699.561975
where:
bonds (distance) C4'-P energy: -147.800
bonds (distance) P-C4' energy: -154.249
flat angles C4'-P-C4' energy: -157.929
flat angles P-C4'-P energy: -94.129
tors. eta vs tors. theta energy: -145.456
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: 1
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -1935.576758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.576758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.576758 (E_RNA)
where:
Base-Base interactions energy: -1261.910
where: short stacking energy: -549.320
Base-Backbone interact. energy: -4.394
local terms energy: -669.272650
where:
bonds (distance) C4'-P energy: -145.803
bonds (distance) P-C4' energy: -152.408
flat angles C4'-P-C4' energy: -161.458
flat angles P-C4'-P energy: -86.201
tors. eta vs tors. theta energy: -123.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -1561.435036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.435036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.435036 (E_RNA)
where:
Base-Base interactions energy: -924.576
where: short stacking energy: -459.963
Base-Backbone interact. energy: -0.487
local terms energy: -636.372831
where:
bonds (distance) C4'-P energy: -147.891
bonds (distance) P-C4' energy: -165.152
flat angles C4'-P-C4' energy: -136.425
flat angles P-C4'-P energy: -89.480
tors. eta vs tors. theta energy: -97.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -1042.528952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.528952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.528952 (E_RNA)
where:
Base-Base interactions energy: -545.993
where: short stacking energy: -310.758
Base-Backbone interact. energy: -0.491
local terms energy: -496.045120
where:
bonds (distance) C4'-P energy: -126.683
bonds (distance) P-C4' energy: -130.282
flat angles C4'-P-C4' energy: -141.660
flat angles P-C4'-P energy: -76.282
tors. eta vs tors. theta energy: -21.138
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: 9
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -1033.040050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.040050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.040050 (E_RNA)
where:
Base-Base interactions energy: -512.527
where: short stacking energy: -251.415
Base-Backbone interact. energy: -2.674
local terms energy: -517.838297
where:
bonds (distance) C4'-P energy: -143.716
bonds (distance) P-C4' energy: -131.833
flat angles C4'-P-C4' energy: -144.196
flat angles P-C4'-P energy: -79.516
tors. eta vs tors. theta energy: -18.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -742.842201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.842201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.842201 (E_RNA)
where:
Base-Base interactions energy: -326.650
where: short stacking energy: -199.486
Base-Backbone interact. energy: -0.887
local terms energy: -415.305334
where:
bonds (distance) C4'-P energy: -143.064
bonds (distance) P-C4' energy: -132.938
flat angles C4'-P-C4' energy: -125.625
flat angles P-C4'-P energy: -59.764
tors. eta vs tors. theta energy: 46.087
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: 3
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -2924.076624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2924.076624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2924.076624 (E_RNA)
where:
Base-Base interactions energy: -2006.010
where: short stacking energy: -820.301
Base-Backbone interact. energy: -1.031
local terms energy: -917.035387
where:
bonds (distance) C4'-P energy: -180.564
bonds (distance) P-C4' energy: -184.475
flat angles C4'-P-C4' energy: -199.933
flat angles P-C4'-P energy: -111.954
tors. eta vs tors. theta energy: -240.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -2731.854456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2731.854456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2731.854456 (E_RNA)
where:
Base-Base interactions energy: -1823.256
where: short stacking energy: -811.925
Base-Backbone interact. energy: -4.864
local terms energy: -903.734350
where:
bonds (distance) C4'-P energy: -183.421
bonds (distance) P-C4' energy: -161.659
flat angles C4'-P-C4' energy: -195.620
flat angles P-C4'-P energy: -117.752
tors. eta vs tors. theta energy: -245.282
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: 3, replica: 10
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -2541.158218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2541.158218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2541.158218 (E_RNA)
where:
Base-Base interactions energy: -1673.746
where: short stacking energy: -772.990
Base-Backbone interact. energy: -0.783
local terms energy: -866.628664
where:
bonds (distance) C4'-P energy: -164.432
bonds (distance) P-C4' energy: -173.523
flat angles C4'-P-C4' energy: -181.656
flat angles P-C4'-P energy: -112.821
tors. eta vs tors. theta energy: -234.196
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: 4, replica: 7
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -2405.589334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2405.589334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2405.589334 (E_RNA)
where:
Base-Base interactions energy: -1571.541
where: short stacking energy: -696.849
Base-Backbone interact. energy: -1.669
local terms energy: -832.379144
where:
bonds (distance) C4'-P energy: -172.193
bonds (distance) P-C4' energy: -160.189
flat angles C4'-P-C4' energy: -178.571
flat angles P-C4'-P energy: -116.044
tors. eta vs tors. theta energy: -205.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -2121.196268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.196268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.196268 (E_RNA)
where:
Base-Base interactions energy: -1379.076
where: short stacking energy: -623.965
Base-Backbone interact. energy: 2.049
local terms energy: -744.169419
where:
bonds (distance) C4'-P energy: -136.225
bonds (distance) P-C4' energy: -170.962
flat angles C4'-P-C4' energy: -178.995
flat angles P-C4'-P energy: -106.382
tors. eta vs tors. theta energy: -151.605
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: 1
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -1989.296968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.296968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.296968 (E_RNA)
where:
Base-Base interactions energy: -1272.108
where: short stacking energy: -540.944
Base-Backbone interact. energy: 2.048
local terms energy: -719.236619
where:
bonds (distance) C4'-P energy: -159.844
bonds (distance) P-C4' energy: -179.066
flat angles C4'-P-C4' energy: -150.679
flat angles P-C4'-P energy: -110.685
tors. eta vs tors. theta energy: -118.962
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: 8
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -1504.985027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.985027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.985027 (E_RNA)
where:
Base-Base interactions energy: -862.938
where: short stacking energy: -425.805
Base-Backbone interact. energy: -1.744
local terms energy: -640.302816
where:
bonds (distance) C4'-P energy: -148.164
bonds (distance) P-C4' energy: -169.175
flat angles C4'-P-C4' energy: -154.609
flat angles P-C4'-P energy: -91.049
tors. eta vs tors. theta energy: -77.305
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: 8, replica: 2
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -1125.568047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.568047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.568047 (E_RNA)
where:
Base-Base interactions energy: -553.400
where: short stacking energy: -303.636
Base-Backbone interact. energy: -3.543
local terms energy: -568.625138
where:
bonds (distance) C4'-P energy: -167.952
bonds (distance) P-C4' energy: -164.649
flat angles C4'-P-C4' energy: -129.311
flat angles P-C4'-P energy: -76.788
tors. eta vs tors. theta energy: -29.926
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: 9
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -1054.163566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.163566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.163566 (E_RNA)
where:
Base-Base interactions energy: -571.756
where: short stacking energy: -312.008
Base-Backbone interact. energy: -0.703
local terms energy: -481.704448
where:
bonds (distance) C4'-P energy: -144.946
bonds (distance) P-C4' energy: -131.644
flat angles C4'-P-C4' energy: -118.310
flat angles P-C4'-P energy: -82.483
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: 4
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -739.959234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.959234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.959234 (E_RNA)
where:
Base-Base interactions energy: -297.368
where: short stacking energy: -171.847
Base-Backbone interact. energy: 4.547
local terms energy: -447.137973
where:
bonds (distance) C4'-P energy: -150.127
bonds (distance) P-C4' energy: -147.830
flat angles C4'-P-C4' energy: -130.013
flat angles P-C4'-P energy: -71.062
tors. eta vs tors. theta energy: 51.894
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: 1, replica: 3
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -2900.942672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2900.942672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2900.942672 (E_RNA)
where:
Base-Base interactions energy: -2008.089
where: short stacking energy: -787.590
Base-Backbone interact. energy: -3.615
local terms energy: -889.238860
where:
bonds (distance) C4'-P energy: -176.073
bonds (distance) P-C4' energy: -183.889
flat angles C4'-P-C4' energy: -190.408
flat angles P-C4'-P energy: -117.417
tors. eta vs tors. theta energy: -221.452
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: 2, replica: 5
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -2759.824291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2759.824291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2759.824291 (E_RNA)
where:
Base-Base interactions energy: -1850.934
where: short stacking energy: -787.897
Base-Backbone interact. energy: -0.215
local terms energy: -908.675698
where:
bonds (distance) C4'-P energy: -166.240
bonds (distance) P-C4' energy: -169.551
flat angles C4'-P-C4' energy: -202.353
flat angles P-C4'-P energy: -128.554
tors. eta vs tors. theta energy: -241.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -2493.282198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2493.282198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2493.282198 (E_RNA)
where:
Base-Base interactions energy: -1608.591
where: short stacking energy: -742.874
Base-Backbone interact. energy: -3.629
local terms energy: -881.061993
where:
bonds (distance) C4'-P energy: -160.500
bonds (distance) P-C4' energy: -178.472
flat angles C4'-P-C4' energy: -191.835
flat angles P-C4'-P energy: -128.541
tors. eta vs tors. theta energy: -221.714
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: 4, replica: 7
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -2473.109785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2473.109785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2473.109785 (E_RNA)
where:
Base-Base interactions energy: -1640.732
where: short stacking energy: -720.238
Base-Backbone interact. energy: -0.361
local terms energy: -832.016586
where:
bonds (distance) C4'-P energy: -159.156
bonds (distance) P-C4' energy: -163.242
flat angles C4'-P-C4' energy: -184.374
flat angles P-C4'-P energy: -130.791
tors. eta vs tors. theta energy: -194.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -2088.336797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.336797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.336797 (E_RNA)
where:
Base-Base interactions energy: -1339.140
where: short stacking energy: -585.405
Base-Backbone interact. energy: -5.316
local terms energy: -743.880211
where:
bonds (distance) C4'-P energy: -156.955
bonds (distance) P-C4' energy: -166.448
flat angles C4'-P-C4' energy: -162.470
flat angles P-C4'-P energy: -114.034
tors. eta vs tors. theta energy: -143.972
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: 133
Temperature: 1.150000
Total energy: -2085.652682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.652682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.652682 (E_RNA)
where:
Base-Base interactions energy: -1381.650
where: short stacking energy: -597.277
Base-Backbone interact. energy: -2.593
local terms energy: -701.409436
where:
bonds (distance) C4'-P energy: -118.346
bonds (distance) P-C4' energy: -158.028
flat angles C4'-P-C4' energy: -177.757
flat angles P-C4'-P energy: -110.063
tors. eta vs tors. theta energy: -137.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -1488.699135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.699135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.699135 (E_RNA)
where:
Base-Base interactions energy: -891.667
where: short stacking energy: -415.788
Base-Backbone interact. energy: 3.481
local terms energy: -600.513140
where:
bonds (distance) C4'-P energy: -136.378
bonds (distance) P-C4' energy: -149.256
flat angles C4'-P-C4' energy: -160.873
flat angles P-C4'-P energy: -82.308
tors. eta vs tors. theta energy: -71.698
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: 8, replica: 9
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -1154.328607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.328607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.328607 (E_RNA)
where:
Base-Base interactions energy: -624.012
where: short stacking energy: -324.816
Base-Backbone interact. energy: 1.767
local terms energy: -532.083924
where:
bonds (distance) C4'-P energy: -135.093
bonds (distance) P-C4' energy: -155.783
flat angles C4'-P-C4' energy: -145.963
flat angles P-C4'-P energy: -73.619
tors. eta vs tors. theta energy: -21.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -1050.957936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.957936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.957936 (E_RNA)
where:
Base-Base interactions energy: -533.657
where: short stacking energy: -284.027
Base-Backbone interact. energy: 2.669
local terms energy: -519.970265
where:
bonds (distance) C4'-P energy: -140.413
bonds (distance) P-C4' energy: -142.496
flat angles C4'-P-C4' energy: -133.595
flat angles P-C4'-P energy: -91.800
tors. eta vs tors. theta energy: -11.665
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: 4
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -756.156199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.156199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.156199 (E_RNA)
where:
Base-Base interactions energy: -301.604
where: short stacking energy: -214.826
Base-Backbone interact. energy: 0.172
local terms energy: -454.723974
where:
bonds (distance) C4'-P energy: -143.407
bonds (distance) P-C4' energy: -158.673
flat angles C4'-P-C4' energy: -112.301
flat angles P-C4'-P energy: -76.539
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: 1, replica: 3
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -2945.167208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2945.167208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2945.167208 (E_RNA)
where:
Base-Base interactions energy: -2040.752
where: short stacking energy: -807.567
Base-Backbone interact. energy: -3.956
local terms energy: -900.459779
where:
bonds (distance) C4'-P energy: -178.304
bonds (distance) P-C4' energy: -190.372
flat angles C4'-P-C4' energy: -188.967
flat angles P-C4'-P energy: -106.534
tors. eta vs tors. theta energy: -236.283
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: 5
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -2768.657233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2768.657233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2768.657233 (E_RNA)
where:
Base-Base interactions energy: -1840.658
where: short stacking energy: -827.164
Base-Backbone interact. energy: -4.709
local terms energy: -923.290205
where:
bonds (distance) C4'-P energy: -173.103
bonds (distance) P-C4' energy: -177.349
flat angles C4'-P-C4' energy: -200.061
flat angles P-C4'-P energy: -125.374
tors. eta vs tors. theta energy: -247.404
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: 134
Temperature: 1.000000
Total energy: -2526.019046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2526.019046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2526.019046 (E_RNA)
where:
Base-Base interactions energy: -1686.581
where: short stacking energy: -735.141
Base-Backbone interact. energy: -4.213
local terms energy: -835.889782
where:
bonds (distance) C4'-P energy: -148.012
bonds (distance) P-C4' energy: -181.478
flat angles C4'-P-C4' energy: -177.412
flat angles P-C4'-P energy: -123.601
tors. eta vs tors. theta energy: -205.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.665 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -2395.722943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2395.722943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2395.722943 (E_RNA)
where:
Base-Base interactions energy: -1576.552
where: short stacking energy: -687.181
Base-Backbone interact. energy: -1.009
local terms energy: -818.161977
where:
bonds (distance) C4'-P energy: -160.024
bonds (distance) P-C4' energy: -167.410
flat angles C4'-P-C4' energy: -179.502
flat angles P-C4'-P energy: -117.495
tors. eta vs tors. theta energy: -193.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -2142.855345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2142.855345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2142.855345 (E_RNA)
where:
Base-Base interactions energy: -1399.464
where: short stacking energy: -619.674
Base-Backbone interact. energy: -0.585
local terms energy: -742.806437
where:
bonds (distance) C4'-P energy: -176.762
bonds (distance) P-C4' energy: -154.639
flat angles C4'-P-C4' energy: -174.172
flat angles P-C4'-P energy: -100.405
tors. eta vs tors. theta energy: -136.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -2035.517161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.517161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.517161 (E_RNA)
where:
Base-Base interactions energy: -1344.816
where: short stacking energy: -584.675
Base-Backbone interact. energy: -1.995
local terms energy: -688.705736
where:
bonds (distance) C4'-P energy: -138.934
bonds (distance) P-C4' energy: -160.268
flat angles C4'-P-C4' energy: -152.619
flat angles P-C4'-P energy: -92.494
tors. eta vs tors. theta energy: -144.391
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: 8
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -1526.196263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1526.196263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1526.196263 (E_RNA)
where:
Base-Base interactions energy: -934.499
where: short stacking energy: -469.336
Base-Backbone interact. energy: -0.171
local terms energy: -591.526340
where:
bonds (distance) C4'-P energy: -135.560
bonds (distance) P-C4' energy: -149.967
flat angles C4'-P-C4' energy: -134.402
flat angles P-C4'-P energy: -77.205
tors. eta vs tors. theta energy: -94.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -1136.131611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.131611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.131611 (E_RNA)
where:
Base-Base interactions energy: -638.855
where: short stacking energy: -328.339
Base-Backbone interact. energy: -2.341
local terms energy: -494.935614
where:
bonds (distance) C4'-P energy: -139.579
bonds (distance) P-C4' energy: -115.144
flat angles C4'-P-C4' energy: -139.321
flat angles P-C4'-P energy: -71.946
tors. eta vs tors. theta energy: -28.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -1044.627994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.627994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.627994 (E_RNA)
where:
Base-Base interactions energy: -526.858
where: short stacking energy: -284.323
Base-Backbone interact. energy: 0.834
local terms energy: -518.604240
where:
bonds (distance) C4'-P energy: -146.013
bonds (distance) P-C4' energy: -128.910
flat angles C4'-P-C4' energy: -148.252
flat angles P-C4'-P energy: -83.354
tors. eta vs tors. theta energy: -12.076
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: 4
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -732.382756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.382756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.382756 (E_RNA)
where:
Base-Base interactions energy: -288.294
where: short stacking energy: -210.193
Base-Backbone interact. energy: 6.244
local terms energy: -450.332828
where:
bonds (distance) C4'-P energy: -150.229
bonds (distance) P-C4' energy: -141.741
flat angles C4'-P-C4' energy: -118.798
flat angles P-C4'-P energy: -65.995
tors. eta vs tors. theta energy: 26.429
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: 1, replica: 3
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -2955.712588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2955.712588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2955.712588 (E_RNA)
where:
Base-Base interactions energy: -2047.458
where: short stacking energy: -823.003
Base-Backbone interact. energy: -1.459
local terms energy: -906.795655
where:
bonds (distance) C4'-P energy: -175.113
bonds (distance) P-C4' energy: -172.614
flat angles C4'-P-C4' energy: -186.749
flat angles P-C4'-P energy: -131.093
tors. eta vs tors. theta energy: -241.226
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: 5
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -2704.176096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2704.176096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2704.176096 (E_RNA)
where:
Base-Base interactions energy: -1794.595
where: short stacking energy: -791.742
Base-Backbone interact. energy: -4.144
local terms energy: -905.437412
where:
bonds (distance) C4'-P energy: -170.128
bonds (distance) P-C4' energy: -178.855
flat angles C4'-P-C4' energy: -203.951
flat angles P-C4'-P energy: -115.677
tors. eta vs tors. theta energy: -236.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -2480.665594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2480.665594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2480.665594 (E_RNA)
where:
Base-Base interactions energy: -1651.541
where: short stacking energy: -705.862
Base-Backbone interact. energy: -1.009
local terms energy: -829.281147
where:
bonds (distance) C4'-P energy: -155.733
bonds (distance) P-C4' energy: -165.743
flat angles C4'-P-C4' energy: -185.160
flat angles P-C4'-P energy: -118.259
tors. eta vs tors. theta energy: -204.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.166 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -2428.017316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.017316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2428.017316 (E_RNA)
where:
Base-Base interactions energy: -1602.023
where: short stacking energy: -724.921
Base-Backbone interact. energy: -1.587
local terms energy: -824.407001
where:
bonds (distance) C4'-P energy: -151.702
bonds (distance) P-C4' energy: -163.019
flat angles C4'-P-C4' energy: -183.205
flat angles P-C4'-P energy: -119.195
tors. eta vs tors. theta energy: -207.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -2107.553394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.553394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.553394 (E_RNA)
where:
Base-Base interactions energy: -1396.137
where: short stacking energy: -604.865
Base-Backbone interact. energy: 3.797
local terms energy: -715.213405
where:
bonds (distance) C4'-P energy: -160.164
bonds (distance) P-C4' energy: -151.838
flat angles C4'-P-C4' energy: -167.200
flat angles P-C4'-P energy: -82.615
tors. eta vs tors. theta energy: -153.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -2010.091636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.091636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.091636 (E_RNA)
where:
Base-Base interactions energy: -1306.271
where: short stacking energy: -553.382
Base-Backbone interact. energy: -3.232
local terms energy: -700.589207
where:
bonds (distance) C4'-P energy: -141.840
bonds (distance) P-C4' energy: -165.625
flat angles C4'-P-C4' energy: -165.901
flat angles P-C4'-P energy: -96.226
tors. eta vs tors. theta energy: -130.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -1525.522613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.522613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.522613 (E_RNA)
where:
Base-Base interactions energy: -904.605
where: short stacking energy: -463.668
Base-Backbone interact. energy: 3.306
local terms energy: -624.224163
where:
bonds (distance) C4'-P energy: -146.425
bonds (distance) P-C4' energy: -137.709
flat angles C4'-P-C4' energy: -137.775
flat angles P-C4'-P energy: -103.778
tors. eta vs tors. theta energy: -98.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -1171.205950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.205950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.205950 (E_RNA)
where:
Base-Base interactions energy: -603.013
where: short stacking energy: -316.055
Base-Backbone interact. energy: -0.172
local terms energy: -568.020523
where:
bonds (distance) C4'-P energy: -163.581
bonds (distance) P-C4' energy: -163.919
flat angles C4'-P-C4' energy: -132.054
flat angles P-C4'-P energy: -82.311
tors. eta vs tors. theta energy: -26.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -1034.892743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.892743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.892743 (E_RNA)
where:
Base-Base interactions energy: -490.792
where: short stacking energy: -263.046
Base-Backbone interact. energy: -4.386
local terms energy: -539.714984
where:
bonds (distance) C4'-P energy: -171.472
bonds (distance) P-C4' energy: -153.734
flat angles C4'-P-C4' energy: -144.243
flat angles P-C4'-P energy: -68.991
tors. eta vs tors. theta energy: -1.274
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: 4
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -719.287164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.287164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.287164 (E_RNA)
where:
Base-Base interactions energy: -295.369
where: short stacking energy: -183.410
Base-Backbone interact. energy: -3.863
local terms energy: -420.055251
where:
bonds (distance) C4'-P energy: -137.869
bonds (distance) P-C4' energy: -145.013
flat angles C4'-P-C4' energy: -100.448
flat angles P-C4'-P energy: -85.104
tors. eta vs tors. theta energy: 48.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -2923.470178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2923.470178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2923.470178 (E_RNA)
where:
Base-Base interactions energy: -2004.019
where: short stacking energy: -817.232
Base-Backbone interact. energy: -0.676
local terms energy: -918.774308
where:
bonds (distance) C4'-P energy: -171.581
bonds (distance) P-C4' energy: -195.703
flat angles C4'-P-C4' energy: -199.472
flat angles P-C4'-P energy: -118.856
tors. eta vs tors. theta energy: -233.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -2748.428883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2748.428883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2748.428883 (E_RNA)
where:
Base-Base interactions energy: -1875.311
where: short stacking energy: -808.896
Base-Backbone interact. energy: -4.293
local terms energy: -868.825621
where:
bonds (distance) C4'-P energy: -155.908
bonds (distance) P-C4' energy: -164.269
flat angles C4'-P-C4' energy: -194.353
flat angles P-C4'-P energy: -112.284
tors. eta vs tors. theta energy: -242.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -2510.187793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2510.187793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2510.187793 (E_RNA)
where:
Base-Base interactions energy: -1648.840
where: short stacking energy: -731.377
Base-Backbone interact. energy: -1.878
local terms energy: -859.470039
where:
bonds (distance) C4'-P energy: -148.028
bonds (distance) P-C4' energy: -169.917
flat angles C4'-P-C4' energy: -185.120
flat angles P-C4'-P energy: -125.608
tors. eta vs tors. theta energy: -230.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -2448.535124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2448.535124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2448.535124 (E_RNA)
where:
Base-Base interactions energy: -1612.682
where: short stacking energy: -722.795
Base-Backbone interact. energy: -1.990
local terms energy: -833.863223
where:
bonds (distance) C4'-P energy: -139.072
bonds (distance) P-C4' energy: -178.449
flat angles C4'-P-C4' energy: -186.262
flat angles P-C4'-P energy: -112.254
tors. eta vs tors. theta energy: -217.827
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: 6
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -2135.426174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.426174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.426174 (E_RNA)
where:
Base-Base interactions energy: -1370.818
where: short stacking energy: -613.676
Base-Backbone interact. energy: -2.484
local terms energy: -762.124081
where:
bonds (distance) C4'-P energy: -176.039
bonds (distance) P-C4' energy: -151.443
flat angles C4'-P-C4' energy: -174.426
flat angles P-C4'-P energy: -106.388
tors. eta vs tors. theta energy: -153.828
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: 1
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -1981.255979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.255979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.255979 (E_RNA)
where:
Base-Base interactions energy: -1292.754
where: short stacking energy: -525.425
Base-Backbone interact. energy: -3.401
local terms energy: -685.101249
where:
bonds (distance) C4'-P energy: -162.628
bonds (distance) P-C4' energy: -137.764
flat angles C4'-P-C4' energy: -154.485
flat angles P-C4'-P energy: -98.365
tors. eta vs tors. theta energy: -131.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -1564.623790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.623790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.623790 (E_RNA)
where:
Base-Base interactions energy: -931.975
where: short stacking energy: -446.996
Base-Backbone interact. energy: 2.404
local terms energy: -635.053001
where:
bonds (distance) C4'-P energy: -147.804
bonds (distance) P-C4' energy: -166.548
flat angles C4'-P-C4' energy: -135.534
flat angles P-C4'-P energy: -98.622
tors. eta vs tors. theta energy: -86.545
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: 9
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -1118.677829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.677829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.677829 (E_RNA)
where:
Base-Base interactions energy: -562.460
where: short stacking energy: -321.453
Base-Backbone interact. energy: -1.141
local terms energy: -555.076861
where:
bonds (distance) C4'-P energy: -136.424
bonds (distance) P-C4' energy: -149.050
flat angles C4'-P-C4' energy: -149.053
flat angles P-C4'-P energy: -94.442
tors. eta vs tors. theta energy: -26.108
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: 2
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -966.697333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.697333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.697333 (E_RNA)
where:
Base-Base interactions energy: -471.759
where: short stacking energy: -257.111
Base-Backbone interact. energy: 0.865
local terms energy: -495.803420
where:
bonds (distance) C4'-P energy: -158.499
bonds (distance) P-C4' energy: -149.424
flat angles C4'-P-C4' energy: -128.366
flat angles P-C4'-P energy: -73.707
tors. eta vs tors. theta energy: 14.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -790.503442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.503442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.503442 (E_RNA)
where:
Base-Base interactions energy: -330.160
where: short stacking energy: -214.584
Base-Backbone interact. energy: -2.669
local terms energy: -457.673958
where:
bonds (distance) C4'-P energy: -147.217
bonds (distance) P-C4' energy: -155.674
flat angles C4'-P-C4' energy: -114.005
flat angles P-C4'-P energy: -65.414
tors. eta vs tors. theta energy: 24.636
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: 3
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -2901.290122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2901.290122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2901.290122 (E_RNA)
where:
Base-Base interactions energy: -1988.112
where: short stacking energy: -809.655
Base-Backbone interact. energy: -3.195
local terms energy: -909.983237
where:
bonds (distance) C4'-P energy: -168.421
bonds (distance) P-C4' energy: -178.203
flat angles C4'-P-C4' energy: -195.712
flat angles P-C4'-P energy: -131.549
tors. eta vs tors. theta energy: -236.097
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: 5
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -2732.082613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2732.082613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2732.082613 (E_RNA)
where:
Base-Base interactions energy: -1876.994
where: short stacking energy: -791.870
Base-Backbone interact. energy: -2.781
local terms energy: -852.307006
where:
bonds (distance) C4'-P energy: -151.538
bonds (distance) P-C4' energy: -164.267
flat angles C4'-P-C4' energy: -189.285
flat angles P-C4'-P energy: -121.718
tors. eta vs tors. theta energy: -225.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -2583.574007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2583.574007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.574007 (E_RNA)
where:
Base-Base interactions energy: -1711.269
where: short stacking energy: -776.948
Base-Backbone interact. energy: -1.811
local terms energy: -870.494007
where:
bonds (distance) C4'-P energy: -176.902
bonds (distance) P-C4' energy: -160.243
flat angles C4'-P-C4' energy: -188.052
flat angles P-C4'-P energy: -126.377
tors. eta vs tors. theta energy: -218.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -2417.738018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2417.738018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2417.738018 (E_RNA)
where:
Base-Base interactions energy: -1597.055
where: short stacking energy: -702.582
Base-Backbone interact. energy: 1.070
local terms energy: -821.753013
where:
bonds (distance) C4'-P energy: -154.860
bonds (distance) P-C4' energy: -164.887
flat angles C4'-P-C4' energy: -189.095
flat angles P-C4'-P energy: -107.645
tors. eta vs tors. theta energy: -205.266
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: 6
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -2093.096477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.096477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.096477 (E_RNA)
where:
Base-Base interactions energy: -1338.966
where: short stacking energy: -557.023
Base-Backbone interact. energy: -5.114
local terms energy: -749.016613
where:
bonds (distance) C4'-P energy: -164.504
bonds (distance) P-C4' energy: -169.702
flat angles C4'-P-C4' energy: -167.032
flat angles P-C4'-P energy: -109.364
tors. eta vs tors. theta energy: -138.414
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: 6, replica: 1
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -1984.487878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.487878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.487878 (E_RNA)
where:
Base-Base interactions energy: -1292.215
where: short stacking energy: -572.152
Base-Backbone interact. energy: -0.743
local terms energy: -691.529897
where:
bonds (distance) C4'-P energy: -134.580
bonds (distance) P-C4' energy: -160.887
flat angles C4'-P-C4' energy: -165.021
flat angles P-C4'-P energy: -94.363
tors. eta vs tors. theta energy: -136.679
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: 7, replica: 8
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -1557.723104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.723104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.723104 (E_RNA)
where:
Base-Base interactions energy: -909.394
where: short stacking energy: -450.641
Base-Backbone interact. energy: -3.609
local terms energy: -644.719826
where:
bonds (distance) C4'-P energy: -152.728
bonds (distance) P-C4' energy: -153.303
flat angles C4'-P-C4' energy: -147.782
flat angles P-C4'-P energy: -98.102
tors. eta vs tors. theta energy: -92.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -1107.588302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.588302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.588302 (E_RNA)
where:
Base-Base interactions energy: -543.459
where: short stacking energy: -295.702
Base-Backbone interact. energy: -0.607
local terms energy: -563.521693
where:
bonds (distance) C4'-P energy: -133.994
bonds (distance) P-C4' energy: -148.037
flat angles C4'-P-C4' energy: -160.057
flat angles P-C4'-P energy: -86.883
tors. eta vs tors. theta energy: -34.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -956.392796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.392796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.392796 (E_RNA)
where:
Base-Base interactions energy: -472.642
where: short stacking energy: -269.522
Base-Backbone interact. energy: -5.752
local terms energy: -477.999304
where:
bonds (distance) C4'-P energy: -132.762
bonds (distance) P-C4' energy: -143.434
flat angles C4'-P-C4' energy: -151.154
flat angles P-C4'-P energy: -53.613
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: 4
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -766.327760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.327760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.327760 (E_RNA)
where:
Base-Base interactions energy: -340.437
where: short stacking energy: -237.575
Base-Backbone interact. energy: 1.672
local terms energy: -427.562416
where:
bonds (distance) C4'-P energy: -123.887
bonds (distance) P-C4' energy: -148.663
flat angles C4'-P-C4' energy: -100.889
flat angles P-C4'-P energy: -73.067
tors. eta vs tors. theta energy: 18.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -2912.079686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2912.079686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2912.079686 (E_RNA)
where:
Base-Base interactions energy: -1985.119
where: short stacking energy: -819.284
Base-Backbone interact. energy: 0.283
local terms energy: -927.244263
where:
bonds (distance) C4'-P energy: -155.243
bonds (distance) P-C4' energy: -200.156
flat angles C4'-P-C4' energy: -203.555
flat angles P-C4'-P energy: -126.973
tors. eta vs tors. theta energy: -241.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -2727.624900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2727.624900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2727.624900 (E_RNA)
where:
Base-Base interactions energy: -1860.720
where: short stacking energy: -799.613
Base-Backbone interact. energy: -2.193
local terms energy: -864.711811
where:
bonds (distance) C4'-P energy: -159.537
bonds (distance) P-C4' energy: -184.666
flat angles C4'-P-C4' energy: -186.071
flat angles P-C4'-P energy: -119.062
tors. eta vs tors. theta energy: -215.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -2565.189215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2565.189215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2565.189215 (E_RNA)
where:
Base-Base interactions energy: -1680.541
where: short stacking energy: -750.554
Base-Backbone interact. energy: 0.574
local terms energy: -885.221405
where:
bonds (distance) C4'-P energy: -154.929
bonds (distance) P-C4' energy: -176.386
flat angles C4'-P-C4' energy: -193.658
flat angles P-C4'-P energy: -134.320
tors. eta vs tors. theta energy: -225.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -2433.252188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2433.252188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2433.252188 (E_RNA)
where:
Base-Base interactions energy: -1576.074
where: short stacking energy: -697.608
Base-Backbone interact. energy: -1.937
local terms energy: -855.241315
where:
bonds (distance) C4'-P energy: -175.893
bonds (distance) P-C4' energy: -165.481
flat angles C4'-P-C4' energy: -186.941
flat angles P-C4'-P energy: -107.736
tors. eta vs tors. theta energy: -219.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -2124.474878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.474878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.474878 (E_RNA)
where:
Base-Base interactions energy: -1359.055
where: short stacking energy: -581.770
Base-Backbone interact. energy: -3.860
local terms energy: -761.560159
where:
bonds (distance) C4'-P energy: -177.540
bonds (distance) P-C4' energy: -167.940
flat angles C4'-P-C4' energy: -168.110
flat angles P-C4'-P energy: -101.174
tors. eta vs tors. theta energy: -146.796
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: 138
Temperature: 1.150000
Total energy: -1949.821403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.821403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.821403 (E_RNA)
where:
Base-Base interactions energy: -1238.278
where: short stacking energy: -558.220
Base-Backbone interact. energy: -3.313
local terms energy: -708.230578
where:
bonds (distance) C4'-P energy: -157.945
bonds (distance) P-C4' energy: -144.070
flat angles C4'-P-C4' energy: -178.953
flat angles P-C4'-P energy: -99.633
tors. eta vs tors. theta energy: -127.629
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: 8
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -1523.026380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.026380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.026380 (E_RNA)
where:
Base-Base interactions energy: -906.525
where: short stacking energy: -397.395
Base-Backbone interact. energy: -1.064
local terms energy: -615.661888
where:
bonds (distance) C4'-P energy: -127.111
bonds (distance) P-C4' energy: -159.317
flat angles C4'-P-C4' energy: -159.696
flat angles P-C4'-P energy: -92.466
tors. eta vs tors. theta energy: -77.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.225 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -1133.578395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.578395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.578395 (E_RNA)
where:
Base-Base interactions energy: -579.047
where: short stacking energy: -296.697
Base-Backbone interact. energy: 3.632
local terms energy: -558.163405
where:
bonds (distance) C4'-P energy: -149.540
bonds (distance) P-C4' energy: -146.667
flat angles C4'-P-C4' energy: -165.998
flat angles P-C4'-P energy: -71.516
tors. eta vs tors. theta energy: -24.442
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: 2
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -1019.041136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.041136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.041136 (E_RNA)
where:
Base-Base interactions energy: -524.388
where: short stacking energy: -289.508
Base-Backbone interact. energy: -1.543
local terms energy: -493.109782
where:
bonds (distance) C4'-P energy: -149.737
bonds (distance) P-C4' energy: -143.650
flat angles C4'-P-C4' energy: -128.763
flat angles P-C4'-P energy: -65.170
tors. eta vs tors. theta energy: -5.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -718.609122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.609122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.609122 (E_RNA)
where:
Base-Base interactions energy: -258.057
where: short stacking energy: -192.146
Base-Backbone interact. energy: 0.449
local terms energy: -461.001785
where:
bonds (distance) C4'-P energy: -142.856
bonds (distance) P-C4' energy: -158.935
flat angles C4'-P-C4' energy: -109.906
flat angles P-C4'-P energy: -79.051
tors. eta vs tors. theta energy: 29.746
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: 3
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -2906.273766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2906.273766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2906.273766 (E_RNA)
where:
Base-Base interactions energy: -1993.599
where: short stacking energy: -817.043
Base-Backbone interact. energy: -1.394
local terms energy: -911.280298
where:
bonds (distance) C4'-P energy: -178.570
bonds (distance) P-C4' energy: -164.250
flat angles C4'-P-C4' energy: -195.172
flat angles P-C4'-P energy: -132.710
tors. eta vs tors. theta energy: -240.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -2727.672584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2727.672584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2727.672584 (E_RNA)
where:
Base-Base interactions energy: -1850.961
where: short stacking energy: -824.722
Base-Backbone interact. energy: -5.535
local terms energy: -871.175859
where:
bonds (distance) C4'-P energy: -152.457
bonds (distance) P-C4' energy: -176.720
flat angles C4'-P-C4' energy: -186.763
flat angles P-C4'-P energy: -121.320
tors. eta vs tors. theta energy: -233.915
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: 139
Temperature: 1.000000
Total energy: -2562.193322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2562.193322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2562.193322 (E_RNA)
where:
Base-Base interactions energy: -1687.475
where: short stacking energy: -765.515
Base-Backbone interact. energy: 1.269
local terms energy: -875.987888
where:
bonds (distance) C4'-P energy: -161.302
bonds (distance) P-C4' energy: -177.874
flat angles C4'-P-C4' energy: -178.841
flat angles P-C4'-P energy: -125.520
tors. eta vs tors. theta energy: -232.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -2372.382042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.382042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2372.382042 (E_RNA)
where:
Base-Base interactions energy: -1538.670
where: short stacking energy: -701.945
Base-Backbone interact. energy: -0.651
local terms energy: -833.061732
where:
bonds (distance) C4'-P energy: -172.544
bonds (distance) P-C4' energy: -174.449
flat angles C4'-P-C4' energy: -177.979
flat angles P-C4'-P energy: -109.138
tors. eta vs tors. theta energy: -198.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -2126.727540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.727540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.727540 (E_RNA)
where:
Base-Base interactions energy: -1383.515
where: short stacking energy: -622.492
Base-Backbone interact. energy: -3.798
local terms energy: -739.415275
where:
bonds (distance) C4'-P energy: -162.750
bonds (distance) P-C4' energy: -165.781
flat angles C4'-P-C4' energy: -165.403
flat angles P-C4'-P energy: -87.884
tors. eta vs tors. theta energy: -157.596
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: 6, replica: 6
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -2005.858135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.858135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.858135 (E_RNA)
where:
Base-Base interactions energy: -1286.132
where: short stacking energy: -588.964
Base-Backbone interact. energy: -1.348
local terms energy: -718.378216
where:
bonds (distance) C4'-P energy: -162.449
bonds (distance) P-C4' energy: -157.118
flat angles C4'-P-C4' energy: -160.465
flat angles P-C4'-P energy: -111.771
tors. eta vs tors. theta energy: -126.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -1640.267209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.267209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.267209 (E_RNA)
where:
Base-Base interactions energy: -1014.220
where: short stacking energy: -481.319
Base-Backbone interact. energy: -4.155
local terms energy: -621.892673
where:
bonds (distance) C4'-P energy: -132.427
bonds (distance) P-C4' energy: -131.969
flat angles C4'-P-C4' energy: -159.089
flat angles P-C4'-P energy: -89.699
tors. eta vs tors. theta energy: -108.708
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: 9
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -1129.773926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.773926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.773926 (E_RNA)
where:
Base-Base interactions energy: -595.999
where: short stacking energy: -305.628
Base-Backbone interact. energy: -4.210
local terms energy: -529.564671
where:
bonds (distance) C4'-P energy: -150.270
bonds (distance) P-C4' energy: -154.498
flat angles C4'-P-C4' energy: -143.077
flat angles P-C4'-P energy: -77.393
tors. eta vs tors. theta energy: -4.327
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: 139
Temperature: 1.300000
Total energy: -912.987941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.987941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.987941 (E_RNA)
where:
Base-Base interactions energy: -417.715
where: short stacking energy: -245.527
Base-Backbone interact. energy: 0.116
local terms energy: -495.388582
where:
bonds (distance) C4'-P energy: -121.510
bonds (distance) P-C4' energy: -155.978
flat angles C4'-P-C4' energy: -132.592
flat angles P-C4'-P energy: -82.454
tors. eta vs tors. theta energy: -2.855
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: 10, replica: 4
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -772.982229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.982229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.982229 (E_RNA)
where:
Base-Base interactions energy: -318.294
where: short stacking energy: -190.908
Base-Backbone interact. energy: 3.490
local terms energy: -458.178849
where:
bonds (distance) C4'-P energy: -168.355
bonds (distance) P-C4' energy: -125.032
flat angles C4'-P-C4' energy: -132.433
flat angles P-C4'-P energy: -71.627
tors. eta vs tors. theta energy: 39.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -2939.196402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2939.196402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2939.196402 (E_RNA)
where:
Base-Base interactions energy: -2030.970
where: short stacking energy: -847.292
Base-Backbone interact. energy: 2.786
local terms energy: -911.012796
where:
bonds (distance) C4'-P energy: -169.623
bonds (distance) P-C4' energy: -179.635
flat angles C4'-P-C4' energy: -188.854
flat angles P-C4'-P energy: -128.535
tors. eta vs tors. theta energy: -244.366
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: 5
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -2710.562210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2710.562210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2710.562210 (E_RNA)
where:
Base-Base interactions energy: -1823.641
where: short stacking energy: -807.449
Base-Backbone interact. energy: -2.039
local terms energy: -884.882060
where:
bonds (distance) C4'-P energy: -158.021
bonds (distance) P-C4' energy: -177.739
flat angles C4'-P-C4' energy: -192.311
flat angles P-C4'-P energy: -115.612
tors. eta vs tors. theta energy: -241.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -2577.463517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2577.463517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2577.463517 (E_RNA)
where:
Base-Base interactions energy: -1709.351
where: short stacking energy: -748.102
Base-Backbone interact. energy: -4.818
local terms energy: -863.294587
where:
bonds (distance) C4'-P energy: -156.293
bonds (distance) P-C4' energy: -174.456
flat angles C4'-P-C4' energy: -196.904
flat angles P-C4'-P energy: -115.856
tors. eta vs tors. theta energy: -219.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -2308.624847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2308.624847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2308.624847 (E_RNA)
where:
Base-Base interactions energy: -1502.639
where: short stacking energy: -680.250
Base-Backbone interact. energy: -2.315
local terms energy: -803.671048
where:
bonds (distance) C4'-P energy: -155.298
bonds (distance) P-C4' energy: -159.160
flat angles C4'-P-C4' energy: -175.221
flat angles P-C4'-P energy: -117.285
tors. eta vs tors. theta energy: -196.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -2219.705811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2219.705811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.705811 (E_RNA)
where:
Base-Base interactions energy: -1471.957
where: short stacking energy: -645.155
Base-Backbone interact. energy: -1.276
local terms energy: -746.472907
where:
bonds (distance) C4'-P energy: -141.483
bonds (distance) P-C4' energy: -154.295
flat angles C4'-P-C4' energy: -181.553
flat angles P-C4'-P energy: -106.063
tors. eta vs tors. theta energy: -163.079
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: 140
Temperature: 1.150000
Total energy: -1983.474692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.474692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.474692 (E_RNA)
where:
Base-Base interactions energy: -1278.534
where: short stacking energy: -550.080
Base-Backbone interact. energy: -4.007
local terms energy: -700.933389
where:
bonds (distance) C4'-P energy: -142.277
bonds (distance) P-C4' energy: -145.021
flat angles C4'-P-C4' energy: -180.211
flat angles P-C4'-P energy: -114.147
tors. eta vs tors. theta energy: -119.277
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: 8
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -1669.523070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.523070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.523070 (E_RNA)
where:
Base-Base interactions energy: -1028.161
where: short stacking energy: -463.241
Base-Backbone interact. energy: -1.325
local terms energy: -640.037146
where:
bonds (distance) C4'-P energy: -147.022
bonds (distance) P-C4' energy: -139.941
flat angles C4'-P-C4' energy: -136.266
flat angles P-C4'-P energy: -115.116
tors. eta vs tors. theta energy: -101.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -1174.870644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.870644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.870644 (E_RNA)
where:
Base-Base interactions energy: -635.945
where: short stacking energy: -347.595
Base-Backbone interact. energy: 1.916
local terms energy: -540.841454
where:
bonds (distance) C4'-P energy: -143.993
bonds (distance) P-C4' energy: -163.319
flat angles C4'-P-C4' energy: -124.476
flat angles P-C4'-P energy: -85.424
tors. eta vs tors. theta energy: -23.631
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: 4
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -813.198165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.198165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.198165 (E_RNA)
where:
Base-Base interactions energy: -335.178
where: short stacking energy: -243.972
Base-Backbone interact. energy: 2.534
local terms energy: -480.554517
where:
bonds (distance) C4'-P energy: -114.154
bonds (distance) P-C4' energy: -155.805
flat angles C4'-P-C4' energy: -136.175
flat angles P-C4'-P energy: -74.125
tors. eta vs tors. theta energy: -0.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -836.834158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.834158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.834158 (E_RNA)
where:
Base-Base interactions energy: -366.687
where: short stacking energy: -217.146
Base-Backbone interact. energy: 11.623
local terms energy: -481.770490
where:
bonds (distance) C4'-P energy: -133.554
bonds (distance) P-C4' energy: -154.851
flat angles C4'-P-C4' energy: -126.364
flat angles P-C4'-P energy: -75.714
tors. eta vs tors. theta energy: 8.712
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: 1, replica: 3
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -2952.059709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2952.059709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2952.059709 (E_RNA)
where:
Base-Base interactions energy: -2039.746
where: short stacking energy: -844.561
Base-Backbone interact. energy: -6.777
local terms energy: -905.536763
where:
bonds (distance) C4'-P energy: -176.939
bonds (distance) P-C4' energy: -177.691
flat angles C4'-P-C4' energy: -185.122
flat angles P-C4'-P energy: -121.459
tors. eta vs tors. theta energy: -244.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -2715.761856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2715.761856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2715.761856 (E_RNA)
where:
Base-Base interactions energy: -1845.273
where: short stacking energy: -789.254
Base-Backbone interact. energy: 0.155
local terms energy: -870.643447
where:
bonds (distance) C4'-P energy: -164.531
bonds (distance) P-C4' energy: -186.737
flat angles C4'-P-C4' energy: -188.377
flat angles P-C4'-P energy: -109.717
tors. eta vs tors. theta energy: -221.282
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: 3, replica: 7
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -2568.404296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2568.404296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2568.404296 (E_RNA)
where:
Base-Base interactions energy: -1714.737
where: short stacking energy: -771.918
Base-Backbone interact. energy: -1.880
local terms energy: -851.787085
where:
bonds (distance) C4'-P energy: -169.371
bonds (distance) P-C4' energy: -154.318
flat angles C4'-P-C4' energy: -190.489
flat angles P-C4'-P energy: -111.517
tors. eta vs tors. theta energy: -226.093
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: 4, replica: 10
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -2385.706237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2385.706237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2385.706237 (E_RNA)
where:
Base-Base interactions energy: -1538.883
where: short stacking energy: -691.909
Base-Backbone interact. energy: -1.334
local terms energy: -845.489667
where:
bonds (distance) C4'-P energy: -148.671
bonds (distance) P-C4' energy: -178.502
flat angles C4'-P-C4' energy: -188.551
flat angles P-C4'-P energy: -127.193
tors. eta vs tors. theta energy: -202.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -2203.145916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.145916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.145916 (E_RNA)
where:
Base-Base interactions energy: -1451.919
where: short stacking energy: -633.233
Base-Backbone interact. energy: -1.057
local terms energy: -750.170080
where:
bonds (distance) C4'-P energy: -158.938
bonds (distance) P-C4' energy: -157.438
flat angles C4'-P-C4' energy: -167.998
flat angles P-C4'-P energy: -104.614
tors. eta vs tors. theta energy: -161.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -1997.853942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.853942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.853942 (E_RNA)
where:
Base-Base interactions energy: -1279.181
where: short stacking energy: -551.464
Base-Backbone interact. energy: -3.090
local terms energy: -715.582984
where:
bonds (distance) C4'-P energy: -137.768
bonds (distance) P-C4' energy: -169.238
flat angles C4'-P-C4' energy: -169.897
flat angles P-C4'-P energy: -96.888
tors. eta vs tors. theta energy: -141.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -1714.783135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.783135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.783135 (E_RNA)
where:
Base-Base interactions energy: -1082.711
where: short stacking energy: -502.642
Base-Backbone interact. energy: -0.668
local terms energy: -631.404156
where:
bonds (distance) C4'-P energy: -133.603
bonds (distance) P-C4' energy: -153.674
flat angles C4'-P-C4' energy: -167.422
flat angles P-C4'-P energy: -67.392
tors. eta vs tors. theta energy: -109.313
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: 9
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -1160.882869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.882869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.882869 (E_RNA)
where:
Base-Base interactions energy: -608.887
where: short stacking energy: -324.813
Base-Backbone interact. energy: -2.055
local terms energy: -549.941390
where:
bonds (distance) C4'-P energy: -136.452
bonds (distance) P-C4' energy: -158.844
flat angles C4'-P-C4' energy: -141.324
flat angles P-C4'-P energy: -77.561
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: 9, replica: 4
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -917.374175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.374175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.374175 (E_RNA)
where:
Base-Base interactions energy: -389.455
where: short stacking energy: -242.394
Base-Backbone interact. energy: -1.147
local terms energy: -526.772630
where:
bonds (distance) C4'-P energy: -154.403
bonds (distance) P-C4' energy: -142.803
flat angles C4'-P-C4' energy: -129.562
flat angles P-C4'-P energy: -81.818
tors. eta vs tors. theta energy: -18.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -869.069929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.069929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.069929 (E_RNA)
where:
Base-Base interactions energy: -413.450
where: short stacking energy: -244.892
Base-Backbone interact. energy: -4.684
local terms energy: -450.935951
where:
bonds (distance) C4'-P energy: -123.913
bonds (distance) P-C4' energy: -137.327
flat angles C4'-P-C4' energy: -143.755
flat angles P-C4'-P energy: -69.272
tors. eta vs tors. theta energy: 23.331
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: 3
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -2962.025293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2962.025293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2962.025293 (E_RNA)
where:
Base-Base interactions energy: -2042.979
where: short stacking energy: -826.981
Base-Backbone interact. energy: -2.764
local terms energy: -916.281711
where:
bonds (distance) C4'-P energy: -193.343
bonds (distance) P-C4' energy: -164.333
flat angles C4'-P-C4' energy: -194.561
flat angles P-C4'-P energy: -120.274
tors. eta vs tors. theta energy: -243.771
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: 2, replica: 5
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -2827.260202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2827.260202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2827.260202 (E_RNA)
where:
Base-Base interactions energy: -1922.117
where: short stacking energy: -826.565
Base-Backbone interact. energy: -1.488
local terms energy: -903.655371
where:
bonds (distance) C4'-P energy: -168.507
bonds (distance) P-C4' energy: -168.667
flat angles C4'-P-C4' energy: -196.663
flat angles P-C4'-P energy: -126.257
tors. eta vs tors. theta energy: -243.562
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: 7
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -2572.592528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.592528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2572.592528 (E_RNA)
where:
Base-Base interactions energy: -1702.760
where: short stacking energy: -736.034
Base-Backbone interact. energy: -4.322
local terms energy: -865.510314
where:
bonds (distance) C4'-P energy: -161.898
bonds (distance) P-C4' energy: -174.313
flat angles C4'-P-C4' energy: -197.139
flat angles P-C4'-P energy: -117.330
tors. eta vs tors. theta energy: -214.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -2392.313994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2392.313994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2392.313994 (E_RNA)
where:
Base-Base interactions energy: -1540.776
where: short stacking energy: -712.685
Base-Backbone interact. energy: -1.760
local terms energy: -849.777814
where:
bonds (distance) C4'-P energy: -168.562
bonds (distance) P-C4' energy: -175.576
flat angles C4'-P-C4' energy: -186.387
flat angles P-C4'-P energy: -108.657
tors. eta vs tors. theta energy: -210.596
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: 5, replica: 1
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -2255.541989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.541989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2255.541989 (E_RNA)
where:
Base-Base interactions energy: -1457.880
where: short stacking energy: -650.726
Base-Backbone interact. energy: -0.590
local terms energy: -797.072571
where:
bonds (distance) C4'-P energy: -152.323
bonds (distance) P-C4' energy: -178.470
flat angles C4'-P-C4' energy: -188.025
flat angles P-C4'-P energy: -106.317
tors. eta vs tors. theta energy: -171.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -1953.367253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.367253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.367253 (E_RNA)
where:
Base-Base interactions energy: -1244.047
where: short stacking energy: -547.286
Base-Backbone interact. energy: 1.453
local terms energy: -710.773358
where:
bonds (distance) C4'-P energy: -157.673
bonds (distance) P-C4' energy: -161.590
flat angles C4'-P-C4' energy: -144.773
flat angles P-C4'-P energy: -124.209
tors. eta vs tors. theta energy: -122.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -1656.607148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.607148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.607148 (E_RNA)
where:
Base-Base interactions energy: -1010.854
where: short stacking energy: -449.159
Base-Backbone interact. energy: 2.347
local terms energy: -648.099911
where:
bonds (distance) C4'-P energy: -162.558
bonds (distance) P-C4' energy: -157.132
flat angles C4'-P-C4' energy: -136.321
flat angles P-C4'-P energy: -101.070
tors. eta vs tors. theta energy: -91.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -1130.875190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.875190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.875190 (E_RNA)
where:
Base-Base interactions energy: -568.516
where: short stacking energy: -314.878
Base-Backbone interact. energy: 1.314
local terms energy: -563.672356
where:
bonds (distance) C4'-P energy: -153.393
bonds (distance) P-C4' energy: -155.196
flat angles C4'-P-C4' energy: -135.267
flat angles P-C4'-P energy: -81.589
tors. eta vs tors. theta energy: -38.227
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: 2
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -895.355580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.355580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.355580 (E_RNA)
where:
Base-Base interactions energy: -426.478
where: short stacking energy: -253.392
Base-Backbone interact. energy: -1.203
local terms energy: -467.674133
where:
bonds (distance) C4'-P energy: -135.109
bonds (distance) P-C4' energy: -155.931
flat angles C4'-P-C4' energy: -122.134
flat angles P-C4'-P energy: -67.982
tors. eta vs tors. theta energy: 13.482
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: 4
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -805.600710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.600710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.600710 (E_RNA)
where:
Base-Base interactions energy: -352.462
where: short stacking energy: -242.457
Base-Backbone interact. energy: 0.393
local terms energy: -453.532013
where:
bonds (distance) C4'-P energy: -118.733
bonds (distance) P-C4' energy: -144.779
flat angles C4'-P-C4' energy: -132.609
flat angles P-C4'-P energy: -66.285
tors. eta vs tors. theta energy: 8.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -2977.830104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2977.830104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2977.830104 (E_RNA)
where:
Base-Base interactions energy: -2052.459
where: short stacking energy: -848.444
Base-Backbone interact. energy: 3.455
local terms energy: -928.825455
where:
bonds (distance) C4'-P energy: -184.305
bonds (distance) P-C4' energy: -177.445
flat angles C4'-P-C4' energy: -212.623
flat angles P-C4'-P energy: -115.117
tors. eta vs tors. theta energy: -239.336
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: 5
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -2794.457695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2794.457695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2794.457695 (E_RNA)
where:
Base-Base interactions energy: -1915.869
where: short stacking energy: -818.566
Base-Backbone interact. energy: -3.642
local terms energy: -874.946417
where:
bonds (distance) C4'-P energy: -167.208
bonds (distance) P-C4' energy: -178.224
flat angles C4'-P-C4' energy: -178.763
flat angles P-C4'-P energy: -114.305
tors. eta vs tors. theta energy: -236.447
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: 7
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -2545.727423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2545.727423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2545.727423 (E_RNA)
where:
Base-Base interactions energy: -1658.411
where: short stacking energy: -710.047
Base-Backbone interact. energy: -5.724
local terms energy: -881.591809
where:
bonds (distance) C4'-P energy: -166.727
bonds (distance) P-C4' energy: -174.635
flat angles C4'-P-C4' energy: -187.183
flat angles P-C4'-P energy: -130.800
tors. eta vs tors. theta energy: -222.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -2420.759515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2420.759515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2420.759515 (E_RNA)
where:
Base-Base interactions energy: -1556.512
where: short stacking energy: -681.901
Base-Backbone interact. energy: -4.120
local terms energy: -860.127583
where:
bonds (distance) C4'-P energy: -175.086
bonds (distance) P-C4' energy: -166.628
flat angles C4'-P-C4' energy: -188.320
flat angles P-C4'-P energy: -121.054
tors. eta vs tors. theta energy: -209.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -2263.759953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2263.759953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2263.759953 (E_RNA)
where:
Base-Base interactions energy: -1486.359
where: short stacking energy: -659.586
Base-Backbone interact. energy: 0.149
local terms energy: -777.550095
where:
bonds (distance) C4'-P energy: -152.624
bonds (distance) P-C4' energy: -160.939
flat angles C4'-P-C4' energy: -182.336
flat angles P-C4'-P energy: -108.589
tors. eta vs tors. theta energy: -173.062
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: 6
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -2027.414331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.414331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.414331 (E_RNA)
where:
Base-Base interactions energy: -1355.933
where: short stacking energy: -576.832
Base-Backbone interact. energy: -4.319
local terms energy: -667.162517
where:
bonds (distance) C4'-P energy: -114.867
bonds (distance) P-C4' energy: -157.074
flat angles C4'-P-C4' energy: -182.715
flat angles P-C4'-P energy: -96.663
tors. eta vs tors. theta energy: -115.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -1667.002886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.002886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.002886 (E_RNA)
where:
Base-Base interactions energy: -1043.976
where: short stacking energy: -479.208
Base-Backbone interact. energy: 0.057
local terms energy: -623.083850
where:
bonds (distance) C4'-P energy: -163.453
bonds (distance) P-C4' energy: -132.199
flat angles C4'-P-C4' energy: -152.418
flat angles P-C4'-P energy: -84.335
tors. eta vs tors. theta energy: -90.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -1150.792811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.792811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.792811 (E_RNA)
where:
Base-Base interactions energy: -591.613
where: short stacking energy: -335.096
Base-Backbone interact. energy: 6.935
local terms energy: -566.115493
where:
bonds (distance) C4'-P energy: -147.182
bonds (distance) P-C4' energy: -167.634
flat angles C4'-P-C4' energy: -136.648
flat angles P-C4'-P energy: -81.366
tors. eta vs tors. theta energy: -33.285
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: 143
Temperature: 1.300000
Total energy: -1028.645944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.645944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.645944 (E_RNA)
where:
Base-Base interactions energy: -482.091
where: short stacking energy: -274.300
Base-Backbone interact. energy: 7.252
local terms energy: -553.806487
where:
bonds (distance) C4'-P energy: -164.221
bonds (distance) P-C4' energy: -150.909
flat angles C4'-P-C4' energy: -135.619
flat angles P-C4'-P energy: -91.296
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: 10, replica: 4
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -843.381056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.381056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.381056 (E_RNA)
where:
Base-Base interactions energy: -370.863
where: short stacking energy: -238.898
Base-Backbone interact. energy: 6.964
local terms energy: -479.482020
where:
bonds (distance) C4'-P energy: -140.916
bonds (distance) P-C4' energy: -155.214
flat angles C4'-P-C4' energy: -118.615
flat angles P-C4'-P energy: -71.868
tors. eta vs tors. theta energy: 7.131
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: 1, replica: 3
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -2919.210172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2919.210172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2919.210172 (E_RNA)
where:
Base-Base interactions energy: -2023.318
where: short stacking energy: -818.655
Base-Backbone interact. energy: -0.980
local terms energy: -894.912306
where:
bonds (distance) C4'-P energy: -167.405
bonds (distance) P-C4' energy: -172.116
flat angles C4'-P-C4' energy: -197.343
flat angles P-C4'-P energy: -122.502
tors. eta vs tors. theta energy: -235.546
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: 5
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -2786.035243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2786.035243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2786.035243 (E_RNA)
where:
Base-Base interactions energy: -1897.096
where: short stacking energy: -822.644
Base-Backbone interact. energy: -2.423
local terms energy: -886.516770
where:
bonds (distance) C4'-P energy: -172.510
bonds (distance) P-C4' energy: -169.793
flat angles C4'-P-C4' energy: -183.862
flat angles P-C4'-P energy: -120.861
tors. eta vs tors. theta energy: -239.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -2542.398861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2542.398861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2542.398861 (E_RNA)
where:
Base-Base interactions energy: -1674.663
where: short stacking energy: -741.903
Base-Backbone interact. energy: -1.290
local terms energy: -866.445156
where:
bonds (distance) C4'-P energy: -166.678
bonds (distance) P-C4' energy: -160.368
flat angles C4'-P-C4' energy: -193.973
flat angles P-C4'-P energy: -114.104
tors. eta vs tors. theta energy: -231.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -2366.771931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2366.771931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2366.771931 (E_RNA)
where:
Base-Base interactions energy: -1569.715
where: short stacking energy: -696.929
Base-Backbone interact. energy: 2.435
local terms energy: -799.492071
where:
bonds (distance) C4'-P energy: -146.428
bonds (distance) P-C4' energy: -158.453
flat angles C4'-P-C4' energy: -185.198
flat angles P-C4'-P energy: -107.531
tors. eta vs tors. theta energy: -201.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -2276.427010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2276.427010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2276.427010 (E_RNA)
where:
Base-Base interactions energy: -1481.296
where: short stacking energy: -655.407
Base-Backbone interact. energy: 0.116
local terms energy: -795.247005
where:
bonds (distance) C4'-P energy: -153.753
bonds (distance) P-C4' energy: -149.985
flat angles C4'-P-C4' energy: -186.233
flat angles P-C4'-P energy: -112.585
tors. eta vs tors. theta energy: -192.691
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: 6
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -1951.844932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.844932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.844932 (E_RNA)
where:
Base-Base interactions energy: -1279.250
where: short stacking energy: -578.878
Base-Backbone interact. energy: 0.993
local terms energy: -673.588512
where:
bonds (distance) C4'-P energy: -152.141
bonds (distance) P-C4' energy: -146.304
flat angles C4'-P-C4' energy: -160.760
flat angles P-C4'-P energy: -95.816
tors. eta vs tors. theta energy: -118.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -1701.093697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.093697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.093697 (E_RNA)
where:
Base-Base interactions energy: -1039.054
where: short stacking energy: -480.869
Base-Backbone interact. energy: 1.832
local terms energy: -663.871478
where:
bonds (distance) C4'-P energy: -158.116
bonds (distance) P-C4' energy: -138.462
flat angles C4'-P-C4' energy: -165.726
flat angles P-C4'-P energy: -110.525
tors. eta vs tors. theta energy: -91.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -1142.331484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.331484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.331484 (E_RNA)
where:
Base-Base interactions energy: -582.748
where: short stacking energy: -305.494
Base-Backbone interact. energy: 1.913
local terms energy: -561.496431
where:
bonds (distance) C4'-P energy: -146.770
bonds (distance) P-C4' energy: -164.785
flat angles C4'-P-C4' energy: -146.400
flat angles P-C4'-P energy: -75.220
tors. eta vs tors. theta energy: -28.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -974.529843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.529843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.529843 (E_RNA)
where:
Base-Base interactions energy: -475.457
where: short stacking energy: -301.702
Base-Backbone interact. energy: -1.426
local terms energy: -497.646845
where:
bonds (distance) C4'-P energy: -147.757
bonds (distance) P-C4' energy: -143.701
flat angles C4'-P-C4' energy: -122.954
flat angles P-C4'-P energy: -72.872
tors. eta vs tors. theta energy: -10.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -829.819620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.819620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.819620 (E_RNA)
where:
Base-Base interactions energy: -342.318
where: short stacking energy: -185.004
Base-Backbone interact. energy: -1.471
local terms energy: -486.030698
where:
bonds (distance) C4'-P energy: -135.775
bonds (distance) P-C4' energy: -149.876
flat angles C4'-P-C4' energy: -148.876
flat angles P-C4'-P energy: -85.057
tors. eta vs tors. theta energy: 33.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -2911.060397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2911.060397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2911.060397 (E_RNA)
where:
Base-Base interactions energy: -1994.537
where: short stacking energy: -802.957
Base-Backbone interact. energy: 0.710
local terms energy: -917.233095
where:
bonds (distance) C4'-P energy: -178.091
bonds (distance) P-C4' energy: -177.375
flat angles C4'-P-C4' energy: -201.680
flat angles P-C4'-P energy: -126.702
tors. eta vs tors. theta energy: -233.385
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: 2, replica: 5
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -2828.024232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2828.024232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2828.024232 (E_RNA)
where:
Base-Base interactions energy: -1919.327
where: short stacking energy: -842.955
Base-Backbone interact. energy: -3.310
local terms energy: -905.386733
where:
bonds (distance) C4'-P energy: -158.161
bonds (distance) P-C4' energy: -170.268
flat angles C4'-P-C4' energy: -204.815
flat angles P-C4'-P energy: -116.625
tors. eta vs tors. theta energy: -255.517
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: 3, replica: 7
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -2599.343333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2599.343333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2599.343333 (E_RNA)
where:
Base-Base interactions energy: -1701.749
where: short stacking energy: -782.228
Base-Backbone interact. energy: -0.126
local terms energy: -897.468581
where:
bonds (distance) C4'-P energy: -174.449
bonds (distance) P-C4' energy: -159.180
flat angles C4'-P-C4' energy: -192.967
flat angles P-C4'-P energy: -131.789
tors. eta vs tors. theta energy: -239.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -2351.039666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2351.039666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2351.039666 (E_RNA)
where:
Base-Base interactions energy: -1539.481
where: short stacking energy: -655.606
Base-Backbone interact. energy: -2.708
local terms energy: -808.850311
where:
bonds (distance) C4'-P energy: -154.458
bonds (distance) P-C4' energy: -180.914
flat angles C4'-P-C4' energy: -166.482
flat angles P-C4'-P energy: -112.983
tors. eta vs tors. theta energy: -194.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -2324.865262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2324.865262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2324.865262 (E_RNA)
where:
Base-Base interactions energy: -1518.048
where: short stacking energy: -688.715
Base-Backbone interact. energy: -4.024
local terms energy: -802.792704
where:
bonds (distance) C4'-P energy: -167.735
bonds (distance) P-C4' energy: -168.332
flat angles C4'-P-C4' energy: -172.309
flat angles P-C4'-P energy: -103.021
tors. eta vs tors. theta energy: -191.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -1954.587141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.587141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.587141 (E_RNA)
where:
Base-Base interactions energy: -1244.201
where: short stacking energy: -548.542
Base-Backbone interact. energy: -0.588
local terms energy: -709.798635
where:
bonds (distance) C4'-P energy: -157.768
bonds (distance) P-C4' energy: -168.446
flat angles C4'-P-C4' energy: -153.999
flat angles P-C4'-P energy: -99.015
tors. eta vs tors. theta energy: -130.571
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: 8
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -1678.977026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.977026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.977026 (E_RNA)
where:
Base-Base interactions energy: -1030.206
where: short stacking energy: -492.300
Base-Backbone interact. energy: 3.522
local terms energy: -652.292844
where:
bonds (distance) C4'-P energy: -147.148
bonds (distance) P-C4' energy: -173.929
flat angles C4'-P-C4' energy: -128.650
flat angles P-C4'-P energy: -89.550
tors. eta vs tors. theta energy: -113.016
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: 9
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -1162.015145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.015145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.015145 (E_RNA)
where:
Base-Base interactions energy: -622.928
where: short stacking energy: -347.533
Base-Backbone interact. energy: -2.014
local terms energy: -537.072947
where:
bonds (distance) C4'-P energy: -124.785
bonds (distance) P-C4' energy: -172.647
flat angles C4'-P-C4' energy: -138.182
flat angles P-C4'-P energy: -67.466
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: 9, replica: 2
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -965.443288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.443288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.443288 (E_RNA)
where:
Base-Base interactions energy: -451.330
where: short stacking energy: -270.563
Base-Backbone interact. energy: -0.359
local terms energy: -513.754490
where:
bonds (distance) C4'-P energy: -153.823
bonds (distance) P-C4' energy: -146.780
flat angles C4'-P-C4' energy: -134.818
flat angles P-C4'-P energy: -69.795
tors. eta vs tors. theta energy: -8.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -830.669916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.669916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.669916 (E_RNA)
where:
Base-Base interactions energy: -362.129
where: short stacking energy: -212.768
Base-Backbone interact. energy: 0.322
local terms energy: -468.863461
where:
bonds (distance) C4'-P energy: -141.422
bonds (distance) P-C4' energy: -138.259
flat angles C4'-P-C4' energy: -116.246
flat angles P-C4'-P energy: -69.273
tors. eta vs tors. theta energy: -3.664
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: 3
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -2953.381886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2953.381886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2953.381886 (E_RNA)
where:
Base-Base interactions energy: -2041.054
where: short stacking energy: -841.869
Base-Backbone interact. energy: -3.599
local terms energy: -908.729173
where:
bonds (distance) C4'-P energy: -156.629
bonds (distance) P-C4' energy: -180.750
flat angles C4'-P-C4' energy: -201.910
flat angles P-C4'-P energy: -115.880
tors. eta vs tors. theta energy: -253.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -2808.386038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2808.386038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2808.386038 (E_RNA)
where:
Base-Base interactions energy: -1917.518
where: short stacking energy: -831.224
Base-Backbone interact. energy: -1.546
local terms energy: -889.322260
where:
bonds (distance) C4'-P energy: -170.766
bonds (distance) P-C4' energy: -172.422
flat angles C4'-P-C4' energy: -197.270
flat angles P-C4'-P energy: -110.057
tors. eta vs tors. theta energy: -238.808
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: 7
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -2598.534781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2598.534781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2598.534781 (E_RNA)
where:
Base-Base interactions energy: -1695.829
where: short stacking energy: -771.552
Base-Backbone interact. energy: -2.196
local terms energy: -900.510646
where:
bonds (distance) C4'-P energy: -172.225
bonds (distance) P-C4' energy: -175.483
flat angles C4'-P-C4' energy: -192.159
flat angles P-C4'-P energy: -118.967
tors. eta vs tors. theta energy: -241.677
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: 1
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -2431.996879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2431.996879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2431.996879 (E_RNA)
where:
Base-Base interactions energy: -1626.128
where: short stacking energy: -691.351
Base-Backbone interact. energy: -3.977
local terms energy: -801.892318
where:
bonds (distance) C4'-P energy: -138.953
bonds (distance) P-C4' energy: -166.612
flat angles C4'-P-C4' energy: -181.715
flat angles P-C4'-P energy: -113.598
tors. eta vs tors. theta energy: -201.014
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: 5, replica: 10
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -2261.859341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2261.859341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2261.859341 (E_RNA)
where:
Base-Base interactions energy: -1458.714
where: short stacking energy: -661.655
Base-Backbone interact. energy: 3.590
local terms energy: -806.736094
where:
bonds (distance) C4'-P energy: -163.584
bonds (distance) P-C4' energy: -174.602
flat angles C4'-P-C4' energy: -188.961
flat angles P-C4'-P energy: -110.388
tors. eta vs tors. theta energy: -169.201
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: 6, replica: 6
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -1932.159296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.159296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.159296 (E_RNA)
where:
Base-Base interactions energy: -1213.422
where: short stacking energy: -547.724
Base-Backbone interact. energy: 2.522
local terms energy: -721.259201
where:
bonds (distance) C4'-P energy: -158.384
bonds (distance) P-C4' energy: -170.827
flat angles C4'-P-C4' energy: -163.885
flat angles P-C4'-P energy: -93.613
tors. eta vs tors. theta energy: -134.549
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: 8
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -1666.144548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.144548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.144548 (E_RNA)
where:
Base-Base interactions energy: -977.206
where: short stacking energy: -465.266
Base-Backbone interact. energy: -2.115
local terms energy: -686.823528
where:
bonds (distance) C4'-P energy: -161.804
bonds (distance) P-C4' energy: -165.062
flat angles C4'-P-C4' energy: -161.810
flat angles P-C4'-P energy: -108.574
tors. eta vs tors. theta energy: -89.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -1207.841733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.841733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.841733 (E_RNA)
where:
Base-Base interactions energy: -652.571
where: short stacking energy: -317.536
Base-Backbone interact. energy: -3.449
local terms energy: -551.821516
where:
bonds (distance) C4'-P energy: -142.791
bonds (distance) P-C4' energy: -135.710
flat angles C4'-P-C4' energy: -154.761
flat angles P-C4'-P energy: -99.197
tors. eta vs tors. theta energy: -19.362
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: 146
Temperature: 1.300000
Total energy: -986.727247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.727247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.727247 (E_RNA)
where:
Base-Base interactions energy: -458.849
where: short stacking energy: -284.813
Base-Backbone interact. energy: -1.711
local terms energy: -526.167374
where:
bonds (distance) C4'-P energy: -136.348
bonds (distance) P-C4' energy: -152.552
flat angles C4'-P-C4' energy: -129.618
flat angles P-C4'-P energy: -79.120
tors. eta vs tors. theta energy: -28.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -786.875861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.875861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.875861 (E_RNA)
where:
Base-Base interactions energy: -308.692
where: short stacking energy: -198.011
Base-Backbone interact. energy: -1.299
local terms energy: -476.884989
where:
bonds (distance) C4'-P energy: -161.127
bonds (distance) P-C4' energy: -172.114
flat angles C4'-P-C4' energy: -133.164
flat angles P-C4'-P energy: -52.968
tors. eta vs tors. theta energy: 42.488
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: 147
Temperature: 0.900000
Total energy: -2926.736608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2926.736608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2926.736608 (E_RNA)
where:
Base-Base interactions energy: -2004.014
where: short stacking energy: -822.073
Base-Backbone interact. energy: -1.992
local terms energy: -920.730795
where:
bonds (distance) C4'-P energy: -161.188
bonds (distance) P-C4' energy: -181.441
flat angles C4'-P-C4' energy: -200.370
flat angles P-C4'-P energy: -142.523
tors. eta vs tors. theta energy: -235.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -2795.270987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2795.270987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2795.270987 (E_RNA)
where:
Base-Base interactions energy: -1870.481
where: short stacking energy: -828.868
Base-Backbone interact. energy: -1.013
local terms energy: -923.777769
where:
bonds (distance) C4'-P energy: -183.801
bonds (distance) P-C4' energy: -164.070
flat angles C4'-P-C4' energy: -201.113
flat angles P-C4'-P energy: -121.428
tors. eta vs tors. theta energy: -253.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -2535.797245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2535.797245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2535.797245 (E_RNA)
where:
Base-Base interactions energy: -1672.098
where: short stacking energy: -739.877
Base-Backbone interact. energy: -0.159
local terms energy: -863.540583
where:
bonds (distance) C4'-P energy: -189.147
bonds (distance) P-C4' energy: -148.518
flat angles C4'-P-C4' energy: -198.756
flat angles P-C4'-P energy: -116.281
tors. eta vs tors. theta energy: -210.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -2400.519195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2400.519195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2400.519195 (E_RNA)
where:
Base-Base interactions energy: -1628.689
where: short stacking energy: -726.262
Base-Backbone interact. energy: -1.101
local terms energy: -770.729958
where:
bonds (distance) C4'-P energy: -143.395
bonds (distance) P-C4' energy: -155.521
flat angles C4'-P-C4' energy: -181.960
flat angles P-C4'-P energy: -103.387
tors. eta vs tors. theta energy: -186.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -2289.740062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.740062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2289.740062 (E_RNA)
where:
Base-Base interactions energy: -1518.180
where: short stacking energy: -688.627
Base-Backbone interact. energy: -1.563
local terms energy: -769.996616
where:
bonds (distance) C4'-P energy: -167.904
bonds (distance) P-C4' energy: -149.910
flat angles C4'-P-C4' energy: -171.816
flat angles P-C4'-P energy: -87.675
tors. eta vs tors. theta energy: -192.692
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: 6
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -2020.420277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.420277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.420277 (E_RNA)
where:
Base-Base interactions energy: -1327.810
where: short stacking energy: -573.660
Base-Backbone interact. energy: -1.517
local terms energy: -691.093636
where:
bonds (distance) C4'-P energy: -158.297
bonds (distance) P-C4' energy: -137.766
flat angles C4'-P-C4' energy: -157.456
flat angles P-C4'-P energy: -105.676
tors. eta vs tors. theta energy: -131.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -1693.060814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.060814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.060814 (E_RNA)
where:
Base-Base interactions energy: -1036.622
where: short stacking energy: -458.543
Base-Backbone interact. energy: 1.585
local terms energy: -658.024285
where:
bonds (distance) C4'-P energy: -148.590
bonds (distance) P-C4' energy: -168.107
flat angles C4'-P-C4' energy: -154.869
flat angles P-C4'-P energy: -87.759
tors. eta vs tors. theta energy: -98.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -1282.727891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.727891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.727891 (E_RNA)
where:
Base-Base interactions energy: -710.494
where: short stacking energy: -382.700
Base-Backbone interact. energy: -1.785
local terms energy: -570.448372
where:
bonds (distance) C4'-P energy: -147.751
bonds (distance) P-C4' energy: -141.556
flat angles C4'-P-C4' energy: -124.856
flat angles P-C4'-P energy: -85.784
tors. eta vs tors. theta energy: -70.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -949.710014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.710014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.710014 (E_RNA)
where:
Base-Base interactions energy: -476.714
where: short stacking energy: -301.672
Base-Backbone interact. energy: -2.614
local terms energy: -470.382049
where:
bonds (distance) C4'-P energy: -138.214
bonds (distance) P-C4' energy: -136.088
flat angles C4'-P-C4' energy: -120.572
flat angles P-C4'-P energy: -56.583
tors. eta vs tors. theta energy: -18.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -810.358592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.358592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.358592 (E_RNA)
where:
Base-Base interactions energy: -337.878
where: short stacking energy: -201.507
Base-Backbone interact. energy: 1.506
local terms energy: -473.986293
where:
bonds (distance) C4'-P energy: -151.575
bonds (distance) P-C4' energy: -160.193
flat angles C4'-P-C4' energy: -117.235
flat angles P-C4'-P energy: -76.888
tors. eta vs tors. theta energy: 31.904
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: 3
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -2895.319223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2895.319223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2895.319223 (E_RNA)
where:
Base-Base interactions energy: -1979.136
where: short stacking energy: -831.627
Base-Backbone interact. energy: -5.929
local terms energy: -910.254396
where:
bonds (distance) C4'-P energy: -170.287
bonds (distance) P-C4' energy: -170.065
flat angles C4'-P-C4' energy: -199.017
flat angles P-C4'-P energy: -145.217
tors. eta vs tors. theta energy: -225.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -2782.606511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2782.606511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2782.606511 (E_RNA)
where:
Base-Base interactions energy: -1865.772
where: short stacking energy: -805.568
Base-Backbone interact. energy: -7.030
local terms energy: -909.804631
where:
bonds (distance) C4'-P energy: -174.423
bonds (distance) P-C4' energy: -188.166
flat angles C4'-P-C4' energy: -184.606
flat angles P-C4'-P energy: -127.659
tors. eta vs tors. theta energy: -234.950
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: 3, replica: 7
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -2583.280604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2583.280604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.280604 (E_RNA)
where:
Base-Base interactions energy: -1708.250
where: short stacking energy: -764.398
Base-Backbone interact. energy: -2.279
local terms energy: -872.751662
where:
bonds (distance) C4'-P energy: -158.721
bonds (distance) P-C4' energy: -168.777
flat angles C4'-P-C4' energy: -191.504
flat angles P-C4'-P energy: -129.138
tors. eta vs tors. theta energy: -224.612
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: 1
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -2389.106644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2389.106644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2389.106644 (E_RNA)
where:
Base-Base interactions energy: -1582.573
where: short stacking energy: -646.883
Base-Backbone interact. energy: -3.317
local terms energy: -803.216045
where:
bonds (distance) C4'-P energy: -178.588
bonds (distance) P-C4' energy: -149.354
flat angles C4'-P-C4' energy: -185.030
flat angles P-C4'-P energy: -101.923
tors. eta vs tors. theta energy: -188.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -2277.177327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.177327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.177327 (E_RNA)
where:
Base-Base interactions energy: -1460.406
where: short stacking energy: -650.883
Base-Backbone interact. energy: -2.416
local terms energy: -814.354570
where:
bonds (distance) C4'-P energy: -165.485
bonds (distance) P-C4' energy: -165.531
flat angles C4'-P-C4' energy: -177.858
flat angles P-C4'-P energy: -117.021
tors. eta vs tors. theta energy: -188.459
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: 148
Temperature: 1.150000
Total energy: -1959.052239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.052239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.052239 (E_RNA)
where:
Base-Base interactions energy: -1244.809
where: short stacking energy: -517.985
Base-Backbone interact. energy: -0.307
local terms energy: -713.936183
where:
bonds (distance) C4'-P energy: -172.235
bonds (distance) P-C4' energy: -166.281
flat angles C4'-P-C4' energy: -163.721
flat angles P-C4'-P energy: -94.436
tors. eta vs tors. theta energy: -117.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -1653.228277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1653.228277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1653.228277 (E_RNA)
where:
Base-Base interactions energy: -999.772
where: short stacking energy: -468.355
Base-Backbone interact. energy: 0.854
local terms energy: -654.310269
where:
bonds (distance) C4'-P energy: -151.489
bonds (distance) P-C4' energy: -171.184
flat angles C4'-P-C4' energy: -154.934
flat angles P-C4'-P energy: -90.589
tors. eta vs tors. theta energy: -86.114
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: 9
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -1217.886423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.886423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.886423 (E_RNA)
where:
Base-Base interactions energy: -685.818
where: short stacking energy: -322.311
Base-Backbone interact. energy: 0.567
local terms energy: -532.636323
where:
bonds (distance) C4'-P energy: -135.471
bonds (distance) P-C4' energy: -142.728
flat angles C4'-P-C4' energy: -128.645
flat angles P-C4'-P energy: -97.432
tors. eta vs tors. theta energy: -28.360
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: 9, replica: 2
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -963.645886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.645886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.645886 (E_RNA)
where:
Base-Base interactions energy: -469.590
where: short stacking energy: -276.278
Base-Backbone interact. energy: -2.459
local terms energy: -491.596958
where:
bonds (distance) C4'-P energy: -148.867
bonds (distance) P-C4' energy: -144.281
flat angles C4'-P-C4' energy: -131.322
flat angles P-C4'-P energy: -66.722
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: 10, replica: 4
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -813.611947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.611947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.611947 (E_RNA)
where:
Base-Base interactions energy: -377.827
where: short stacking energy: -221.597
Base-Backbone interact. energy: -2.146
local terms energy: -433.638761
where:
bonds (distance) C4'-P energy: -154.918
bonds (distance) P-C4' energy: -134.915
flat angles C4'-P-C4' energy: -112.625
flat angles P-C4'-P energy: -39.621
tors. eta vs tors. theta energy: 8.440
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: 3
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -2928.167076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2928.167076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2928.167076 (E_RNA)
where:
Base-Base interactions energy: -1976.860
where: short stacking energy: -822.086
Base-Backbone interact. energy: -4.765
local terms energy: -946.541580
where:
bonds (distance) C4'-P energy: -192.863
bonds (distance) P-C4' energy: -181.975
flat angles C4'-P-C4' energy: -192.861
flat angles P-C4'-P energy: -137.402
tors. eta vs tors. theta energy: -241.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -2816.161756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2816.161756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2816.161756 (E_RNA)
where:
Base-Base interactions energy: -1896.773
where: short stacking energy: -824.122
Base-Backbone interact. energy: -4.391
local terms energy: -914.997798
where:
bonds (distance) C4'-P energy: -168.696
bonds (distance) P-C4' energy: -177.265
flat angles C4'-P-C4' energy: -194.960
flat angles P-C4'-P energy: -120.286
tors. eta vs tors. theta energy: -253.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -2594.381667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.381667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2594.381667 (E_RNA)
where:
Base-Base interactions energy: -1714.301
where: short stacking energy: -752.282
Base-Backbone interact. energy: -3.503
local terms energy: -876.577583
where:
bonds (distance) C4'-P energy: -166.741
bonds (distance) P-C4' energy: -190.172
flat angles C4'-P-C4' energy: -180.460
flat angles P-C4'-P energy: -116.437
tors. eta vs tors. theta energy: -222.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -2427.578820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2427.578820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2427.578820 (E_RNA)
where:
Base-Base interactions energy: -1618.449
where: short stacking energy: -703.908
Base-Backbone interact. energy: 0.001
local terms energy: -809.130899
where:
bonds (distance) C4'-P energy: -151.136
bonds (distance) P-C4' energy: -173.715
flat angles C4'-P-C4' energy: -185.228
flat angles P-C4'-P energy: -103.676
tors. eta vs tors. theta energy: -195.376
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: 10
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -2213.811695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2213.811695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2213.811695 (E_RNA)
where:
Base-Base interactions energy: -1431.337
where: short stacking energy: -654.100
Base-Backbone interact. energy: 3.658
local terms energy: -786.133172
where:
bonds (distance) C4'-P energy: -160.130
bonds (distance) P-C4' energy: -178.278
flat angles C4'-P-C4' energy: -177.868
flat angles P-C4'-P energy: -107.200
tors. eta vs tors. theta energy: -162.656
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: 6
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -2012.985551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.985551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.985551 (E_RNA)
where:
Base-Base interactions energy: -1303.521
where: short stacking energy: -570.206
Base-Backbone interact. energy: 1.326
local terms energy: -710.790338
where:
bonds (distance) C4'-P energy: -136.254
bonds (distance) P-C4' energy: -161.105
flat angles C4'-P-C4' energy: -165.076
flat angles P-C4'-P energy: -99.295
tors. eta vs tors. theta energy: -149.060
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: 8
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -1602.643930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.643930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.643930 (E_RNA)
where:
Base-Base interactions energy: -987.354
where: short stacking energy: -442.833
Base-Backbone interact. energy: -2.183
local terms energy: -613.641346
where:
bonds (distance) C4'-P energy: -142.364
bonds (distance) P-C4' energy: -164.544
flat angles C4'-P-C4' energy: -142.597
flat angles P-C4'-P energy: -77.495
tors. eta vs tors. theta energy: -86.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.534 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -1305.789715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.789715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.789715 (E_RNA)
where:
Base-Base interactions energy: -732.620
where: short stacking energy: -401.279
Base-Backbone interact. energy: 1.761
local terms energy: -574.930664
where:
bonds (distance) C4'-P energy: -141.147
bonds (distance) P-C4' energy: -135.782
flat angles C4'-P-C4' energy: -133.075
flat angles P-C4'-P energy: -89.323
tors. eta vs tors. theta energy: -75.603
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: 149
Temperature: 1.300000
Total energy: -938.497524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.497524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.497524 (E_RNA)
where:
Base-Base interactions energy: -428.037
where: short stacking energy: -250.714
Base-Backbone interact. energy: 3.078
local terms energy: -513.537679
where:
bonds (distance) C4'-P energy: -167.548
bonds (distance) P-C4' energy: -140.560
flat angles C4'-P-C4' energy: -136.955
flat angles P-C4'-P energy: -80.887
tors. eta vs tors. theta energy: 12.412
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: 4
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -803.710993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.710993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.710993 (E_RNA)
where:
Base-Base interactions energy: -342.946
where: short stacking energy: -208.941
Base-Backbone interact. energy: 3.373
local terms energy: -464.137784
where:
bonds (distance) C4'-P energy: -135.570
bonds (distance) P-C4' energy: -152.812
flat angles C4'-P-C4' energy: -126.680
flat angles P-C4'-P energy: -76.739
tors. eta vs tors. theta energy: 27.664
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: 3
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -2923.805027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2923.805027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2923.805027 (E_RNA)
where:
Base-Base interactions energy: -2032.427
where: short stacking energy: -834.019
Base-Backbone interact. energy: -1.969
local terms energy: -889.408756
where:
bonds (distance) C4'-P energy: -181.018
bonds (distance) P-C4' energy: -160.907
flat angles C4'-P-C4' energy: -186.056
flat angles P-C4'-P energy: -123.818
tors. eta vs tors. theta energy: -237.609
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: 5
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -2775.791267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2775.791267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2775.791267 (E_RNA)
where:
Base-Base interactions energy: -1857.801
where: short stacking energy: -819.051
Base-Backbone interact. energy: -1.092
local terms energy: -916.897852
where:
bonds (distance) C4'-P energy: -164.731
bonds (distance) P-C4' energy: -182.109
flat angles C4'-P-C4' energy: -201.476
flat angles P-C4'-P energy: -126.098
tors. eta vs tors. theta energy: -242.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -2599.180957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2599.180957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2599.180957 (E_RNA)
where:
Base-Base interactions energy: -1715.410
where: short stacking energy: -750.878
Base-Backbone interact. energy: -1.572
local terms energy: -882.198281
where:
bonds (distance) C4'-P energy: -155.197
bonds (distance) P-C4' energy: -190.424
flat angles C4'-P-C4' energy: -191.539
flat angles P-C4'-P energy: -128.767
tors. eta vs tors. theta energy: -216.272
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: 1
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -2421.570838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2421.570838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2421.570838 (E_RNA)
where:
Base-Base interactions energy: -1618.103
where: short stacking energy: -691.535
Base-Backbone interact. energy: -3.355
local terms energy: -800.112375
where:
bonds (distance) C4'-P energy: -162.439
bonds (distance) P-C4' energy: -153.613
flat angles C4'-P-C4' energy: -185.682
flat angles P-C4'-P energy: -118.810
tors. eta vs tors. theta energy: -179.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -2213.385614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2213.385614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2213.385614 (E_RNA)
where:
Base-Base interactions energy: -1419.724
where: short stacking energy: -641.043
Base-Backbone interact. energy: -0.143
local terms energy: -793.518562
where:
bonds (distance) C4'-P energy: -165.538
bonds (distance) P-C4' energy: -171.392
flat angles C4'-P-C4' energy: -151.285
flat angles P-C4'-P energy: -125.496
tors. eta vs tors. theta energy: -179.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -2010.842942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.842942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.842942 (E_RNA)
where:
Base-Base interactions energy: -1254.375
where: short stacking energy: -543.608
Base-Backbone interact. energy: 3.999
local terms energy: -760.467244
where:
bonds (distance) C4'-P energy: -170.683
bonds (distance) P-C4' energy: -152.161
flat angles C4'-P-C4' energy: -173.420
flat angles P-C4'-P energy: -125.382
tors. eta vs tors. theta energy: -138.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -1670.933109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.933109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.933109 (E_RNA)
where:
Base-Base interactions energy: -1031.956
where: short stacking energy: -461.783
Base-Backbone interact. energy: 3.999
local terms energy: -642.975501
where:
bonds (distance) C4'-P energy: -150.119
bonds (distance) P-C4' energy: -150.735
flat angles C4'-P-C4' energy: -165.338
flat angles P-C4'-P energy: -93.766
tors. eta vs tors. theta energy: -83.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -1302.520010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.520010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.520010 (E_RNA)
where:
Base-Base interactions energy: -763.132
where: short stacking energy: -394.818
Base-Backbone interact. energy: 1.989
local terms energy: -541.376915
where:
bonds (distance) C4'-P energy: -127.529
bonds (distance) P-C4' energy: -139.260
flat angles C4'-P-C4' energy: -158.566
flat angles P-C4'-P energy: -77.011
tors. eta vs tors. theta energy: -39.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -991.196211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.196211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.196211 (E_RNA)
where:
Base-Base interactions energy: -480.960
where: short stacking energy: -294.470
Base-Backbone interact. energy: 4.374
local terms energy: -514.609886
where:
bonds (distance) C4'-P energy: -142.503
bonds (distance) P-C4' energy: -147.802
flat angles C4'-P-C4' energy: -144.555
flat angles P-C4'-P energy: -69.146
tors. eta vs tors. theta energy: -10.603
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: 4
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -793.007865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.007865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.007865 (E_RNA)
where:
Base-Base interactions energy: -344.419
where: short stacking energy: -215.366
Base-Backbone interact. energy: 4.065
local terms energy: -452.652969
where:
bonds (distance) C4'-P energy: -141.223
bonds (distance) P-C4' energy: -157.512
flat angles C4'-P-C4' energy: -111.798
flat angles P-C4'-P energy: -72.188
tors. eta vs tors. theta energy: 30.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -2902.485339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2902.485339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2902.485339 (E_RNA)
where:
Base-Base interactions energy: -1995.963
where: short stacking energy: -828.046
Base-Backbone interact. energy: -2.499
local terms energy: -904.023521
where:
bonds (distance) C4'-P energy: -174.972
bonds (distance) P-C4' energy: -177.806
flat angles C4'-P-C4' energy: -188.256
flat angles P-C4'-P energy: -122.045
tors. eta vs tors. theta energy: -240.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -2790.117869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2790.117869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2790.117869 (E_RNA)
where:
Base-Base interactions energy: -1855.606
where: short stacking energy: -818.632
Base-Backbone interact. energy: -1.334
local terms energy: -933.177751
where:
bonds (distance) C4'-P energy: -167.878
bonds (distance) P-C4' energy: -178.299
flat angles C4'-P-C4' energy: -196.963
flat angles P-C4'-P energy: -139.172
tors. eta vs tors. theta energy: -250.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -2547.828462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2547.828462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2547.828462 (E_RNA)
where:
Base-Base interactions energy: -1667.508
where: short stacking energy: -740.602
Base-Backbone interact. energy: -3.233
local terms energy: -877.086848
where:
bonds (distance) C4'-P energy: -171.534
bonds (distance) P-C4' energy: -162.877
flat angles C4'-P-C4' energy: -194.646
flat angles P-C4'-P energy: -117.881
tors. eta vs tors. theta energy: -230.149
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: 1
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -2489.865584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2489.865584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2489.865584 (E_RNA)
where:
Base-Base interactions energy: -1647.364
where: short stacking energy: -688.081
Base-Backbone interact. energy: -2.370
local terms energy: -840.131595
where:
bonds (distance) C4'-P energy: -124.886
bonds (distance) P-C4' energy: -191.651
flat angles C4'-P-C4' energy: -206.964
flat angles P-C4'-P energy: -115.609
tors. eta vs tors. theta energy: -201.021
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: 10
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -2204.484511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2204.484511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2204.484511 (E_RNA)
where:
Base-Base interactions energy: -1402.589
where: short stacking energy: -646.715
Base-Backbone interact. energy: -2.333
local terms energy: -799.562217
where:
bonds (distance) C4'-P energy: -166.222
bonds (distance) P-C4' energy: -169.138
flat angles C4'-P-C4' energy: -181.237
flat angles P-C4'-P energy: -111.222
tors. eta vs tors. theta energy: -171.744
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: 151
Temperature: 1.150000
Total energy: -1999.168619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.168619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.168619 (E_RNA)
where:
Base-Base interactions energy: -1324.413
where: short stacking energy: -553.068
Base-Backbone interact. energy: -1.021
local terms energy: -673.734845
where:
bonds (distance) C4'-P energy: -133.903
bonds (distance) P-C4' energy: -158.040
flat angles C4'-P-C4' energy: -145.254
flat angles P-C4'-P energy: -93.253
tors. eta vs tors. theta energy: -143.284
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: 8
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -1635.246556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.246556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.246556 (E_RNA)
where:
Base-Base interactions energy: -974.186
where: short stacking energy: -460.120
Base-Backbone interact. energy: 0.477
local terms energy: -661.537967
where:
bonds (distance) C4'-P energy: -160.070
bonds (distance) P-C4' energy: -150.755
flat angles C4'-P-C4' energy: -145.023
flat angles P-C4'-P energy: -103.559
tors. eta vs tors. theta energy: -102.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -1346.474163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.474163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.474163 (E_RNA)
where:
Base-Base interactions energy: -772.238
where: short stacking energy: -373.513
Base-Backbone interact. energy: 1.504
local terms energy: -575.739627
where:
bonds (distance) C4'-P energy: -152.455
bonds (distance) P-C4' energy: -132.051
flat angles C4'-P-C4' energy: -140.072
flat angles P-C4'-P energy: -107.630
tors. eta vs tors. theta energy: -43.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -977.969529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.969529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.969529 (E_RNA)
where:
Base-Base interactions energy: -484.247
where: short stacking energy: -302.436
Base-Backbone interact. energy: 6.142
local terms energy: -499.864038
where:
bonds (distance) C4'-P energy: -150.872
bonds (distance) P-C4' energy: -153.061
flat angles C4'-P-C4' energy: -127.944
flat angles P-C4'-P energy: -79.622
tors. eta vs tors. theta energy: 11.636
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: 4
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -737.781725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.781725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.781725 (E_RNA)
where:
Base-Base interactions energy: -297.998
where: short stacking energy: -194.133
Base-Backbone interact. energy: 4.160
local terms energy: -443.943138
where:
bonds (distance) C4'-P energy: -117.936
bonds (distance) P-C4' energy: -135.996
flat angles C4'-P-C4' energy: -123.712
flat angles P-C4'-P energy: -83.014
tors. eta vs tors. theta energy: 16.714
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: 1, replica: 3
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -2921.218011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2921.218011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2921.218011 (E_RNA)
where:
Base-Base interactions energy: -1970.463
where: short stacking energy: -828.950
Base-Backbone interact. energy: 4.121
local terms energy: -954.875739
where:
bonds (distance) C4'-P energy: -182.305
bonds (distance) P-C4' energy: -198.616
flat angles C4'-P-C4' energy: -203.160
flat angles P-C4'-P energy: -128.565
tors. eta vs tors. theta energy: -242.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -2817.861197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2817.861197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2817.861197 (E_RNA)
where:
Base-Base interactions energy: -1882.081
where: short stacking energy: -846.839
Base-Backbone interact. energy: -6.053
local terms energy: -929.726887
where:
bonds (distance) C4'-P energy: -153.576
bonds (distance) P-C4' energy: -182.818
flat angles C4'-P-C4' energy: -209.016
flat angles P-C4'-P energy: -127.952
tors. eta vs tors. theta energy: -256.364
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: 7
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -2592.772418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2592.772418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2592.772418 (E_RNA)
where:
Base-Base interactions energy: -1707.679
where: short stacking energy: -754.101
Base-Backbone interact. energy: -1.832
local terms energy: -883.261920
where:
bonds (distance) C4'-P energy: -170.782
bonds (distance) P-C4' energy: -171.310
flat angles C4'-P-C4' energy: -195.182
flat angles P-C4'-P energy: -128.285
tors. eta vs tors. theta energy: -217.704
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: 4, replica: 1
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -2381.723854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2381.723854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2381.723854 (E_RNA)
where:
Base-Base interactions energy: -1613.991
where: short stacking energy: -673.900
Base-Backbone interact. energy: -0.462
local terms energy: -767.271198
where:
bonds (distance) C4'-P energy: -144.287
bonds (distance) P-C4' energy: -153.316
flat angles C4'-P-C4' energy: -189.677
flat angles P-C4'-P energy: -97.618
tors. eta vs tors. theta energy: -182.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -2175.499860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.499860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.499860 (E_RNA)
where:
Base-Base interactions energy: -1432.868
where: short stacking energy: -617.676
Base-Backbone interact. energy: -2.186
local terms energy: -740.445690
where:
bonds (distance) C4'-P energy: -113.672
bonds (distance) P-C4' energy: -166.844
flat angles C4'-P-C4' energy: -177.720
flat angles P-C4'-P energy: -113.846
tors. eta vs tors. theta energy: -168.363
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: 6
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -2089.218459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.218459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2089.218459 (E_RNA)
where:
Base-Base interactions energy: -1355.147
where: short stacking energy: -570.248
Base-Backbone interact. energy: 2.455
local terms energy: -736.526614
where:
bonds (distance) C4'-P energy: -153.338
bonds (distance) P-C4' energy: -164.735
flat angles C4'-P-C4' energy: -172.735
flat angles P-C4'-P energy: -111.309
tors. eta vs tors. theta energy: -134.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -1574.720721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.720721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.720721 (E_RNA)
where:
Base-Base interactions energy: -957.491
where: short stacking energy: -499.044
Base-Backbone interact. energy: 7.150
local terms energy: -624.379161
where:
bonds (distance) C4'-P energy: -144.324
bonds (distance) P-C4' energy: -154.770
flat angles C4'-P-C4' energy: -146.770
flat angles P-C4'-P energy: -99.679
tors. eta vs tors. theta energy: -78.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -1287.996206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.996206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.996206 (E_RNA)
where:
Base-Base interactions energy: -748.771
where: short stacking energy: -369.560
Base-Backbone interact. energy: 9.557
local terms energy: -548.781957
where:
bonds (distance) C4'-P energy: -128.105
bonds (distance) P-C4' energy: -162.079
flat angles C4'-P-C4' energy: -120.388
flat angles P-C4'-P energy: -93.104
tors. eta vs tors. theta energy: -45.106
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: 152
Temperature: 1.300000
Total energy: -971.089243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.089243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.089243 (E_RNA)
where:
Base-Base interactions energy: -448.835
where: short stacking energy: -272.548
Base-Backbone interact. energy: 1.724
local terms energy: -523.977867
where:
bonds (distance) C4'-P energy: -162.894
bonds (distance) P-C4' energy: -147.982
flat angles C4'-P-C4' energy: -121.640
flat angles P-C4'-P energy: -74.727
tors. eta vs tors. theta energy: -16.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -744.637194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.637194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.637194 (E_RNA)
where:
Base-Base interactions energy: -293.040
where: short stacking energy: -197.728
Base-Backbone interact. energy: 6.184
local terms energy: -457.781109
where:
bonds (distance) C4'-P energy: -133.512
bonds (distance) P-C4' energy: -153.503
flat angles C4'-P-C4' energy: -125.862
flat angles P-C4'-P energy: -73.514
tors. eta vs tors. theta energy: 28.611
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: 3
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -2919.078133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2919.078133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2919.078133 (E_RNA)
where:
Base-Base interactions energy: -1993.537
where: short stacking energy: -835.286
Base-Backbone interact. energy: 1.779
local terms energy: -927.320441
where:
bonds (distance) C4'-P energy: -191.678
bonds (distance) P-C4' energy: -175.577
flat angles C4'-P-C4' energy: -199.149
flat angles P-C4'-P energy: -118.328
tors. eta vs tors. theta energy: -242.589
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: 5
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -2803.314038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2803.314038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2803.314038 (E_RNA)
where:
Base-Base interactions energy: -1918.345
where: short stacking energy: -817.395
Base-Backbone interact. energy: -2.670
local terms energy: -882.299672
where:
bonds (distance) C4'-P energy: -174.231
bonds (distance) P-C4' energy: -156.667
flat angles C4'-P-C4' energy: -178.517
flat angles P-C4'-P energy: -133.258
tors. eta vs tors. theta energy: -239.627
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: 3, replica: 7
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -2568.990233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2568.990233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2568.990233 (E_RNA)
where:
Base-Base interactions energy: -1715.096
where: short stacking energy: -768.448
Base-Backbone interact. energy: 1.655
local terms energy: -855.549553
where:
bonds (distance) C4'-P energy: -146.363
bonds (distance) P-C4' energy: -153.994
flat angles C4'-P-C4' energy: -202.986
flat angles P-C4'-P energy: -119.674
tors. eta vs tors. theta energy: -232.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -2436.378683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2436.378683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2436.378683 (E_RNA)
where:
Base-Base interactions energy: -1602.874
where: short stacking energy: -688.600
Base-Backbone interact. energy: 1.126
local terms energy: -834.630990
where:
bonds (distance) C4'-P energy: -162.181
bonds (distance) P-C4' energy: -181.560
flat angles C4'-P-C4' energy: -184.789
flat angles P-C4'-P energy: -118.555
tors. eta vs tors. theta energy: -187.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -2193.280859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.280859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.280859 (E_RNA)
where:
Base-Base interactions energy: -1438.099
where: short stacking energy: -628.576
Base-Backbone interact. energy: -1.309
local terms energy: -753.872824
where:
bonds (distance) C4'-P energy: -130.423
bonds (distance) P-C4' energy: -164.776
flat angles C4'-P-C4' energy: -160.764
flat angles P-C4'-P energy: -113.185
tors. eta vs tors. theta energy: -184.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -2016.897536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.897536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.897536 (E_RNA)
where:
Base-Base interactions energy: -1311.717
where: short stacking energy: -571.560
Base-Backbone interact. energy: -1.033
local terms energy: -704.147315
where:
bonds (distance) C4'-P energy: -148.422
bonds (distance) P-C4' energy: -150.316
flat angles C4'-P-C4' energy: -161.412
flat angles P-C4'-P energy: -106.178
tors. eta vs tors. theta energy: -137.820
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: 7, replica: 8
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -1629.742401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.742401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.742401 (E_RNA)
where:
Base-Base interactions energy: -994.580
where: short stacking energy: -489.148
Base-Backbone interact. energy: -1.276
local terms energy: -633.886305
where:
bonds (distance) C4'-P energy: -132.785
bonds (distance) P-C4' energy: -146.910
flat angles C4'-P-C4' energy: -156.484
flat angles P-C4'-P energy: -79.959
tors. eta vs tors. theta energy: -117.749
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: 9
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -1180.605716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.605716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.605716 (E_RNA)
where:
Base-Base interactions energy: -645.741
where: short stacking energy: -352.620
Base-Backbone interact. energy: 3.824
local terms energy: -538.688592
where:
bonds (distance) C4'-P energy: -129.641
bonds (distance) P-C4' energy: -150.385
flat angles C4'-P-C4' energy: -153.880
flat angles P-C4'-P energy: -77.891
tors. eta vs tors. theta energy: -26.891
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: 9, replica: 2
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -980.564061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.564061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.564061 (E_RNA)
where:
Base-Base interactions energy: -452.374
where: short stacking energy: -262.090
Base-Backbone interact. energy: 2.201
local terms energy: -530.390819
where:
bonds (distance) C4'-P energy: -152.079
bonds (distance) P-C4' energy: -151.336
flat angles C4'-P-C4' energy: -139.771
flat angles P-C4'-P energy: -83.857
tors. eta vs tors. theta energy: -3.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -815.798299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.798299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.798299 (E_RNA)
where:
Base-Base interactions energy: -390.244
where: short stacking energy: -232.599
Base-Backbone interact. energy: 1.527
local terms energy: -427.080577
where:
bonds (distance) C4'-P energy: -125.263
bonds (distance) P-C4' energy: -152.133
flat angles C4'-P-C4' energy: -100.422
flat angles P-C4'-P energy: -73.884
tors. eta vs tors. theta energy: 24.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -2940.275949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2940.275949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2940.275949 (E_RNA)
where:
Base-Base interactions energy: -2027.782
where: short stacking energy: -844.177
Base-Backbone interact. energy: -0.472
local terms energy: -912.021900
where:
bonds (distance) C4'-P energy: -165.293
bonds (distance) P-C4' energy: -165.204
flat angles C4'-P-C4' energy: -198.336
flat angles P-C4'-P energy: -141.368
tors. eta vs tors. theta energy: -241.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -2801.640955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2801.640955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2801.640955 (E_RNA)
where:
Base-Base interactions energy: -1882.864
where: short stacking energy: -826.200
Base-Backbone interact. energy: -3.421
local terms energy: -915.356092
where:
bonds (distance) C4'-P energy: -183.580
bonds (distance) P-C4' energy: -174.828
flat angles C4'-P-C4' energy: -194.370
flat angles P-C4'-P energy: -122.381
tors. eta vs tors. theta energy: -240.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -2583.959960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2583.959960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.959960 (E_RNA)
where:
Base-Base interactions energy: -1709.417
where: short stacking energy: -747.524
Base-Backbone interact. energy: -3.450
local terms energy: -871.092768
where:
bonds (distance) C4'-P energy: -176.948
bonds (distance) P-C4' energy: -159.039
flat angles C4'-P-C4' energy: -200.010
flat angles P-C4'-P energy: -121.409
tors. eta vs tors. theta energy: -213.687
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: 1
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -2415.111437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2415.111437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2415.111437 (E_RNA)
where:
Base-Base interactions energy: -1624.225
where: short stacking energy: -664.036
Base-Backbone interact. energy: -1.328
local terms energy: -789.558788
where:
bonds (distance) C4'-P energy: -146.086
bonds (distance) P-C4' energy: -168.221
flat angles C4'-P-C4' energy: -197.172
flat angles P-C4'-P energy: -108.111
tors. eta vs tors. theta energy: -169.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -2206.463259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.463259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.463259 (E_RNA)
where:
Base-Base interactions energy: -1469.716
where: short stacking energy: -645.283
Base-Backbone interact. energy: 2.209
local terms energy: -738.955519
where:
bonds (distance) C4'-P energy: -144.969
bonds (distance) P-C4' energy: -165.540
flat angles C4'-P-C4' energy: -171.699
flat angles P-C4'-P energy: -86.112
tors. eta vs tors. theta energy: -170.636
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: 6
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -2019.563904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.563904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.563904 (E_RNA)
where:
Base-Base interactions energy: -1306.042
where: short stacking energy: -563.421
Base-Backbone interact. energy: -1.351
local terms energy: -712.171469
where:
bonds (distance) C4'-P energy: -144.899
bonds (distance) P-C4' energy: -154.877
flat angles C4'-P-C4' energy: -175.296
flat angles P-C4'-P energy: -96.465
tors. eta vs tors. theta energy: -140.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -1536.124447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.124447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.124447 (E_RNA)
where:
Base-Base interactions energy: -933.175
where: short stacking energy: -442.689
Base-Backbone interact. energy: 0.213
local terms energy: -604.762243
where:
bonds (distance) C4'-P energy: -147.361
bonds (distance) P-C4' energy: -148.015
flat angles C4'-P-C4' energy: -145.468
flat angles P-C4'-P energy: -81.712
tors. eta vs tors. theta energy: -82.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.600 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -1275.407595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.407595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.407595 (E_RNA)
where:
Base-Base interactions energy: -684.933
where: short stacking energy: -367.911
Base-Backbone interact. energy: -4.776
local terms energy: -585.698535
where:
bonds (distance) C4'-P energy: -145.798
bonds (distance) P-C4' energy: -146.177
flat angles C4'-P-C4' energy: -144.184
flat angles P-C4'-P energy: -93.336
tors. eta vs tors. theta energy: -56.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -933.154919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.154919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.154919 (E_RNA)
where:
Base-Base interactions energy: -445.622
where: short stacking energy: -235.482
Base-Backbone interact. energy: -1.330
local terms energy: -486.202061
where:
bonds (distance) C4'-P energy: -151.168
bonds (distance) P-C4' energy: -145.094
flat angles C4'-P-C4' energy: -104.846
flat angles P-C4'-P energy: -79.468
tors. eta vs tors. theta energy: -5.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -816.673072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.673072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.673072 (E_RNA)
where:
Base-Base interactions energy: -360.035
where: short stacking energy: -227.626
Base-Backbone interact. energy: 6.116
local terms energy: -462.754061
where:
bonds (distance) C4'-P energy: -138.288
bonds (distance) P-C4' energy: -144.573
flat angles C4'-P-C4' energy: -118.948
flat angles P-C4'-P energy: -71.911
tors. eta vs tors. theta energy: 10.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -2907.441473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2907.441473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2907.441473 (E_RNA)
where:
Base-Base interactions energy: -1972.021
where: short stacking energy: -818.143
Base-Backbone interact. energy: -2.305
local terms energy: -933.115645
where:
bonds (distance) C4'-P energy: -174.516
bonds (distance) P-C4' energy: -177.759
flat angles C4'-P-C4' energy: -187.643
flat angles P-C4'-P energy: -134.724
tors. eta vs tors. theta energy: -258.473
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: 5
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -2751.129397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2751.129397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2751.129397 (E_RNA)
where:
Base-Base interactions energy: -1842.925
where: short stacking energy: -802.009
Base-Backbone interact. energy: 3.356
local terms energy: -911.560049
where:
bonds (distance) C4'-P energy: -177.603
bonds (distance) P-C4' energy: -181.458
flat angles C4'-P-C4' energy: -196.045
flat angles P-C4'-P energy: -116.955
tors. eta vs tors. theta energy: -239.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -2644.529623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2644.529623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2644.529623 (E_RNA)
where:
Base-Base interactions energy: -1765.190
where: short stacking energy: -765.732
Base-Backbone interact. energy: -1.469
local terms energy: -877.870309
where:
bonds (distance) C4'-P energy: -171.234
bonds (distance) P-C4' energy: -174.939
flat angles C4'-P-C4' energy: -196.066
flat angles P-C4'-P energy: -111.865
tors. eta vs tors. theta energy: -223.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -2434.420058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2434.420058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2434.420058 (E_RNA)
where:
Base-Base interactions energy: -1601.744
where: short stacking energy: -688.457
Base-Backbone interact. energy: -3.618
local terms energy: -829.058632
where:
bonds (distance) C4'-P energy: -166.945
bonds (distance) P-C4' energy: -164.985
flat angles C4'-P-C4' energy: -185.164
flat angles P-C4'-P energy: -99.853
tors. eta vs tors. theta energy: -212.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -2250.770531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2250.770531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.770531 (E_RNA)
where:
Base-Base interactions energy: -1478.349
where: short stacking energy: -667.569
Base-Backbone interact. energy: 1.819
local terms energy: -774.240447
where:
bonds (distance) C4'-P energy: -150.947
bonds (distance) P-C4' energy: -149.146
flat angles C4'-P-C4' energy: -179.869
flat angles P-C4'-P energy: -118.903
tors. eta vs tors. theta energy: -175.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -2033.467710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.467710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.467710 (E_RNA)
where:
Base-Base interactions energy: -1291.985
where: short stacking energy: -581.006
Base-Backbone interact. energy: 0.502
local terms energy: -741.984084
where:
bonds (distance) C4'-P energy: -148.682
bonds (distance) P-C4' energy: -163.232
flat angles C4'-P-C4' energy: -172.767
flat angles P-C4'-P energy: -101.885
tors. eta vs tors. theta energy: -155.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -1512.473439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1512.473439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1512.473439 (E_RNA)
where:
Base-Base interactions energy: -873.660
where: short stacking energy: -418.785
Base-Backbone interact. energy: 1.738
local terms energy: -640.551435
where:
bonds (distance) C4'-P energy: -164.191
bonds (distance) P-C4' energy: -161.888
flat angles C4'-P-C4' energy: -143.395
flat angles P-C4'-P energy: -81.879
tors. eta vs tors. theta energy: -89.198
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: 8, replica: 9
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -1183.616931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.616931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.616931 (E_RNA)
where:
Base-Base interactions energy: -631.749
where: short stacking energy: -345.460
Base-Backbone interact. energy: -0.154
local terms energy: -551.714596
where:
bonds (distance) C4'-P energy: -150.729
bonds (distance) P-C4' energy: -145.740
flat angles C4'-P-C4' energy: -145.513
flat angles P-C4'-P energy: -78.431
tors. eta vs tors. theta energy: -31.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -947.406413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.406413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.406413 (E_RNA)
where:
Base-Base interactions energy: -457.191
where: short stacking energy: -252.891
Base-Backbone interact. energy: 0.304
local terms energy: -490.519472
where:
bonds (distance) C4'-P energy: -123.436
bonds (distance) P-C4' energy: -142.181
flat angles C4'-P-C4' energy: -149.244
flat angles P-C4'-P energy: -75.956
tors. eta vs tors. theta energy: 0.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -803.176812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.176812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.176812 (E_RNA)
where:
Base-Base interactions energy: -368.072
where: short stacking energy: -192.222
Base-Backbone interact. energy: 9.163
local terms energy: -444.267842
where:
bonds (distance) C4'-P energy: -141.769
bonds (distance) P-C4' energy: -140.679
flat angles C4'-P-C4' energy: -135.093
flat angles P-C4'-P energy: -62.499
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: 1, replica: 3
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -2932.009044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2932.009044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2932.009044 (E_RNA)
where:
Base-Base interactions energy: -2003.237
where: short stacking energy: -806.926
Base-Backbone interact. energy: -8.294
local terms energy: -920.477986
where:
bonds (distance) C4'-P energy: -189.816
bonds (distance) P-C4' energy: -180.900
flat angles C4'-P-C4' energy: -199.022
flat angles P-C4'-P energy: -122.610
tors. eta vs tors. theta energy: -228.129
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: 5
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -2735.102998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2735.102998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2735.102998 (E_RNA)
where:
Base-Base interactions energy: -1864.066
where: short stacking energy: -803.226
Base-Backbone interact. energy: -3.120
local terms energy: -867.916767
where:
bonds (distance) C4'-P energy: -162.060
bonds (distance) P-C4' energy: -163.309
flat angles C4'-P-C4' energy: -191.383
flat angles P-C4'-P energy: -115.339
tors. eta vs tors. theta energy: -235.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -2649.037160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2649.037160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2649.037160 (E_RNA)
where:
Base-Base interactions energy: -1740.548
where: short stacking energy: -741.028
Base-Backbone interact. energy: 2.148
local terms energy: -910.636300
where:
bonds (distance) C4'-P energy: -169.453
bonds (distance) P-C4' energy: -183.873
flat angles C4'-P-C4' energy: -196.687
flat angles P-C4'-P energy: -135.180
tors. eta vs tors. theta energy: -225.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -2425.525613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2425.525613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2425.525613 (E_RNA)
where:
Base-Base interactions energy: -1616.351
where: short stacking energy: -692.288
Base-Backbone interact. energy: -0.470
local terms energy: -808.704004
where:
bonds (distance) C4'-P energy: -146.858
bonds (distance) P-C4' energy: -166.299
flat angles C4'-P-C4' energy: -183.207
flat angles P-C4'-P energy: -127.888
tors. eta vs tors. theta energy: -184.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -2274.731351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.731351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.731351 (E_RNA)
where:
Base-Base interactions energy: -1495.350
where: short stacking energy: -638.879
Base-Backbone interact. energy: -3.773
local terms energy: -775.608434
where:
bonds (distance) C4'-P energy: -156.700
bonds (distance) P-C4' energy: -137.632
flat angles C4'-P-C4' energy: -172.784
flat angles P-C4'-P energy: -114.562
tors. eta vs tors. theta energy: -193.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -1960.814063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.814063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.814063 (E_RNA)
where:
Base-Base interactions energy: -1251.040
where: short stacking energy: -562.109
Base-Backbone interact. energy: -3.094
local terms energy: -706.679262
where:
bonds (distance) C4'-P energy: -154.955
bonds (distance) P-C4' energy: -162.055
flat angles C4'-P-C4' energy: -149.617
flat angles P-C4'-P energy: -98.914
tors. eta vs tors. theta energy: -141.138
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: 7, replica: 8
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -1704.437938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.437938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.437938 (E_RNA)
where:
Base-Base interactions energy: -1065.946
where: short stacking energy: -509.828
Base-Backbone interact. energy: 0.016
local terms energy: -638.508449
where:
bonds (distance) C4'-P energy: -132.881
bonds (distance) P-C4' energy: -146.274
flat angles C4'-P-C4' energy: -167.748
flat angles P-C4'-P energy: -83.572
tors. eta vs tors. theta energy: -108.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -1175.019615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.019615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.019615 (E_RNA)
where:
Base-Base interactions energy: -627.442
where: short stacking energy: -363.255
Base-Backbone interact. energy: 2.791
local terms energy: -550.369202
where:
bonds (distance) C4'-P energy: -157.066
bonds (distance) P-C4' energy: -145.808
flat angles C4'-P-C4' energy: -132.683
flat angles P-C4'-P energy: -90.343
tors. eta vs tors. theta energy: -24.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -991.386661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.386661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.386661 (E_RNA)
where:
Base-Base interactions energy: -513.918
where: short stacking energy: -279.856
Base-Backbone interact. energy: 1.298
local terms energy: -478.766490
where:
bonds (distance) C4'-P energy: -141.771
bonds (distance) P-C4' energy: -144.230
flat angles C4'-P-C4' energy: -142.267
flat angles P-C4'-P energy: -67.303
tors. eta vs tors. theta energy: 16.805
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: 10, replica: 4
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -805.619689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.619689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.619689 (E_RNA)
where:
Base-Base interactions energy: -341.927
where: short stacking energy: -209.744
Base-Backbone interact. energy: 4.733
local terms energy: -468.425424
where:
bonds (distance) C4'-P energy: -129.517
bonds (distance) P-C4' energy: -147.660
flat angles C4'-P-C4' energy: -116.575
flat angles P-C4'-P energy: -82.885
tors. eta vs tors. theta energy: 8.212
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: 3
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -2893.732246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2893.732246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2893.732246 (E_RNA)
where:
Base-Base interactions energy: -2006.995
where: short stacking energy: -802.750
Base-Backbone interact. energy: 0.482
local terms energy: -887.218983
where:
bonds (distance) C4'-P energy: -182.602
bonds (distance) P-C4' energy: -166.787
flat angles C4'-P-C4' energy: -178.583
flat angles P-C4'-P energy: -128.186
tors. eta vs tors. theta energy: -231.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -2728.435187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2728.435187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2728.435187 (E_RNA)
where:
Base-Base interactions energy: -1841.581
where: short stacking energy: -803.329
Base-Backbone interact. energy: -2.179
local terms energy: -884.675514
where:
bonds (distance) C4'-P energy: -173.097
bonds (distance) P-C4' energy: -152.927
flat angles C4'-P-C4' energy: -205.539
flat angles P-C4'-P energy: -122.244
tors. eta vs tors. theta energy: -230.868
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: 3, replica: 7
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -2632.287141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2632.287141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2632.287141 (E_RNA)
where:
Base-Base interactions energy: -1770.723
where: short stacking energy: -711.402
Base-Backbone interact. energy: 0.115
local terms energy: -861.679061
where:
bonds (distance) C4'-P energy: -168.225
bonds (distance) P-C4' energy: -172.783
flat angles C4'-P-C4' energy: -194.245
flat angles P-C4'-P energy: -113.793
tors. eta vs tors. theta energy: -212.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -2389.866865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2389.866865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2389.866865 (E_RNA)
where:
Base-Base interactions energy: -1571.136
where: short stacking energy: -691.966
Base-Backbone interact. energy: -2.439
local terms energy: -816.292213
where:
bonds (distance) C4'-P energy: -144.393
bonds (distance) P-C4' energy: -175.928
flat angles C4'-P-C4' energy: -177.845
flat angles P-C4'-P energy: -106.763
tors. eta vs tors. theta energy: -211.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -2281.182136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2281.182136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2281.182136 (E_RNA)
where:
Base-Base interactions energy: -1461.481
where: short stacking energy: -658.037
Base-Backbone interact. energy: 1.224
local terms energy: -820.925473
where:
bonds (distance) C4'-P energy: -158.209
bonds (distance) P-C4' energy: -157.343
flat angles C4'-P-C4' energy: -175.787
flat angles P-C4'-P energy: -123.974
tors. eta vs tors. theta energy: -205.613
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: 6
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -2005.552407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.552407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.552407 (E_RNA)
where:
Base-Base interactions energy: -1304.870
where: short stacking energy: -604.176
Base-Backbone interact. energy: 4.113
local terms energy: -704.794830
where:
bonds (distance) C4'-P energy: -149.807
bonds (distance) P-C4' energy: -149.168
flat angles C4'-P-C4' energy: -171.731
flat angles P-C4'-P energy: -89.357
tors. eta vs tors. theta energy: -144.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -1643.268566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.268566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.268566 (E_RNA)
where:
Base-Base interactions energy: -995.902
where: short stacking energy: -497.137
Base-Backbone interact. energy: -1.404
local terms energy: -648.082085
where:
bonds (distance) C4'-P energy: -128.239
bonds (distance) P-C4' energy: -158.256
flat angles C4'-P-C4' energy: -149.946
flat angles P-C4'-P energy: -95.930
tors. eta vs tors. theta energy: -115.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.120 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -1073.965752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.965752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.965752 (E_RNA)
where:
Base-Base interactions energy: -541.510
where: short stacking energy: -316.344
Base-Backbone interact. energy: 5.844
local terms energy: -538.299587
where:
bonds (distance) C4'-P energy: -142.511
bonds (distance) P-C4' energy: -175.733
flat angles C4'-P-C4' energy: -135.239
flat angles P-C4'-P energy: -72.962
tors. eta vs tors. theta energy: -11.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -969.021343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.021343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.021343 (E_RNA)
where:
Base-Base interactions energy: -466.083
where: short stacking energy: -268.736
Base-Backbone interact. energy: -2.602
local terms energy: -500.335923
where:
bonds (distance) C4'-P energy: -131.903
bonds (distance) P-C4' energy: -146.167
flat angles C4'-P-C4' energy: -122.747
flat angles P-C4'-P energy: -94.536
tors. eta vs tors. theta energy: -4.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -766.124663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.124663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.124663 (E_RNA)
where:
Base-Base interactions energy: -337.522
where: short stacking energy: -232.853
Base-Backbone interact. energy: 10.524
local terms energy: -439.126949
where:
bonds (distance) C4'-P energy: -151.004
bonds (distance) P-C4' energy: -125.239
flat angles C4'-P-C4' energy: -99.341
flat angles P-C4'-P energy: -87.991
tors. eta vs tors. theta energy: 24.448
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: 3
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -2904.490290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2904.490290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2904.490290 (E_RNA)
where:
Base-Base interactions energy: -2011.125
where: short stacking energy: -822.080
Base-Backbone interact. energy: -6.372
local terms energy: -886.993707
where:
bonds (distance) C4'-P energy: -171.949
bonds (distance) P-C4' energy: -172.637
flat angles C4'-P-C4' energy: -192.962
flat angles P-C4'-P energy: -118.643
tors. eta vs tors. theta energy: -230.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -2716.367538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2716.367538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2716.367538 (E_RNA)
where:
Base-Base interactions energy: -1834.717
where: short stacking energy: -785.586
Base-Backbone interact. energy: -1.172
local terms energy: -880.478268
where:
bonds (distance) C4'-P energy: -158.706
bonds (distance) P-C4' energy: -186.693
flat angles C4'-P-C4' energy: -182.341
flat angles P-C4'-P energy: -125.787
tors. eta vs tors. theta energy: -226.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -2634.950825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2634.950825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2634.950825 (E_RNA)
where:
Base-Base interactions energy: -1736.006
where: short stacking energy: -758.438
Base-Backbone interact. energy: -1.063
local terms energy: -897.882030
where:
bonds (distance) C4'-P energy: -175.047
bonds (distance) P-C4' energy: -187.020
flat angles C4'-P-C4' energy: -197.221
flat angles P-C4'-P energy: -111.204
tors. eta vs tors. theta energy: -227.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -2416.496525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2416.496525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2416.496525 (E_RNA)
where:
Base-Base interactions energy: -1608.535
where: short stacking energy: -721.673
Base-Backbone interact. energy: 0.836
local terms energy: -808.797333
where:
bonds (distance) C4'-P energy: -135.221
bonds (distance) P-C4' energy: -148.284
flat angles C4'-P-C4' energy: -195.093
flat angles P-C4'-P energy: -128.425
tors. eta vs tors. theta energy: -201.774
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: 5, replica: 10
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -2348.662545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2348.662545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2348.662545 (E_RNA)
where:
Base-Base interactions energy: -1528.936
where: short stacking energy: -701.154
Base-Backbone interact. energy: -2.328
local terms energy: -817.398214
where:
bonds (distance) C4'-P energy: -143.420
bonds (distance) P-C4' energy: -162.512
flat angles C4'-P-C4' energy: -189.388
flat angles P-C4'-P energy: -122.790
tors. eta vs tors. theta energy: -199.288
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: 6
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -1967.098595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.098595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.098595 (E_RNA)
where:
Base-Base interactions energy: -1274.357
where: short stacking energy: -578.127
Base-Backbone interact. energy: 3.203
local terms energy: -695.943700
where:
bonds (distance) C4'-P energy: -142.910
bonds (distance) P-C4' energy: -165.143
flat angles C4'-P-C4' energy: -151.166
flat angles P-C4'-P energy: -90.097
tors. eta vs tors. theta energy: -146.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -1628.820061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.820061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.820061 (E_RNA)
where:
Base-Base interactions energy: -959.547
where: short stacking energy: -477.627
Base-Backbone interact. energy: -2.787
local terms energy: -666.485170
where:
bonds (distance) C4'-P energy: -143.449
bonds (distance) P-C4' energy: -158.645
flat angles C4'-P-C4' energy: -161.392
flat angles P-C4'-P energy: -98.164
tors. eta vs tors. theta energy: -104.835
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: 9
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -1218.229548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.229548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.229548 (E_RNA)
where:
Base-Base interactions energy: -696.570
where: short stacking energy: -352.985
Base-Backbone interact. energy: -0.168
local terms energy: -521.491734
where:
bonds (distance) C4'-P energy: -135.010
bonds (distance) P-C4' energy: -153.473
flat angles C4'-P-C4' energy: -127.009
flat angles P-C4'-P energy: -84.504
tors. eta vs tors. theta energy: -21.496
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: 2
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -974.773865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.773865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.773865 (E_RNA)
where:
Base-Base interactions energy: -495.076
where: short stacking energy: -247.468
Base-Backbone interact. energy: -4.022
local terms energy: -475.676283
where:
bonds (distance) C4'-P energy: -127.429
bonds (distance) P-C4' energy: -159.159
flat angles C4'-P-C4' energy: -139.690
flat angles P-C4'-P energy: -78.800
tors. eta vs tors. theta energy: 29.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -810.615033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.615033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.615033 (E_RNA)
where:
Base-Base interactions energy: -358.424
where: short stacking energy: -217.578
Base-Backbone interact. energy: -0.680
local terms energy: -451.510907
where:
bonds (distance) C4'-P energy: -117.296
bonds (distance) P-C4' energy: -155.281
flat angles C4'-P-C4' energy: -122.778
flat angles P-C4'-P energy: -72.774
tors. eta vs tors. theta energy: 16.619
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: 3
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -2939.028025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2939.028025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2939.028025 (E_RNA)
where:
Base-Base interactions energy: -2029.431
where: short stacking energy: -846.055
Base-Backbone interact. energy: 0.093
local terms energy: -909.690230
where:
bonds (distance) C4'-P energy: -176.641
bonds (distance) P-C4' energy: -157.761
flat angles C4'-P-C4' energy: -197.397
flat angles P-C4'-P energy: -138.536
tors. eta vs tors. theta energy: -239.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -2749.566493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2749.566493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2749.566493 (E_RNA)
where:
Base-Base interactions energy: -1836.816
where: short stacking energy: -797.180
Base-Backbone interact. energy: -5.561
local terms energy: -907.190053
where:
bonds (distance) C4'-P energy: -185.357
bonds (distance) P-C4' energy: -178.111
flat angles C4'-P-C4' energy: -188.140
flat angles P-C4'-P energy: -128.317
tors. eta vs tors. theta energy: -227.265
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: 7
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -2613.493217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2613.493217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2613.493217 (E_RNA)
where:
Base-Base interactions energy: -1765.296
where: short stacking energy: -757.425
Base-Backbone interact. energy: 5.728
local terms energy: -853.925148
where:
bonds (distance) C4'-P energy: -153.891
bonds (distance) P-C4' energy: -164.962
flat angles C4'-P-C4' energy: -182.719
flat angles P-C4'-P energy: -118.898
tors. eta vs tors. theta energy: -233.456
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: 1
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -2493.635981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2493.635981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2493.635981 (E_RNA)
where:
Base-Base interactions energy: -1673.279
where: short stacking energy: -707.222
Base-Backbone interact. energy: -1.513
local terms energy: -818.843181
where:
bonds (distance) C4'-P energy: -163.118
bonds (distance) P-C4' energy: -145.987
flat angles C4'-P-C4' energy: -193.003
flat angles P-C4'-P energy: -115.645
tors. eta vs tors. theta energy: -201.090
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: 10
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -2283.713158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2283.713158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2283.713158 (E_RNA)
where:
Base-Base interactions energy: -1512.329
where: short stacking energy: -658.148
Base-Backbone interact. energy: 5.430
local terms energy: -776.813865
where:
bonds (distance) C4'-P energy: -158.690
bonds (distance) P-C4' energy: -172.836
flat angles C4'-P-C4' energy: -179.624
flat angles P-C4'-P energy: -97.515
tors. eta vs tors. theta energy: -168.148
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: 6
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -1934.734038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.734038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.734038 (E_RNA)
where:
Base-Base interactions energy: -1232.259
where: short stacking energy: -563.613
Base-Backbone interact. energy: -3.288
local terms energy: -699.187244
where:
bonds (distance) C4'-P energy: -153.041
bonds (distance) P-C4' energy: -151.992
flat angles C4'-P-C4' energy: -158.440
flat angles P-C4'-P energy: -94.252
tors. eta vs tors. theta energy: -141.461
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: 8
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -1572.863729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.863729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.863729 (E_RNA)
where:
Base-Base interactions energy: -937.813
where: short stacking energy: -471.739
Base-Backbone interact. energy: -0.817
local terms energy: -634.233391
where:
bonds (distance) C4'-P energy: -153.733
bonds (distance) P-C4' energy: -164.690
flat angles C4'-P-C4' energy: -142.856
flat angles P-C4'-P energy: -76.736
tors. eta vs tors. theta energy: -96.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -1199.738901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.738901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.738901 (E_RNA)
where:
Base-Base interactions energy: -641.668
where: short stacking energy: -346.123
Base-Backbone interact. energy: 0.913
local terms energy: -558.983947
where:
bonds (distance) C4'-P energy: -164.841
bonds (distance) P-C4' energy: -158.821
flat angles C4'-P-C4' energy: -140.359
flat angles P-C4'-P energy: -61.029
tors. eta vs tors. theta energy: -33.934
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: 159
Temperature: 1.300000
Total energy: -1043.300665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.300665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.300665 (E_RNA)
where:
Base-Base interactions energy: -547.557
where: short stacking energy: -326.962
Base-Backbone interact. energy: -1.762
local terms energy: -493.981465
where:
bonds (distance) C4'-P energy: -135.755
bonds (distance) P-C4' energy: -149.534
flat angles C4'-P-C4' energy: -107.958
flat angles P-C4'-P energy: -71.487
tors. eta vs tors. theta energy: -29.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -873.152871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.152871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.152871 (E_RNA)
where:
Base-Base interactions energy: -423.418
where: short stacking energy: -267.489
Base-Backbone interact. energy: 2.345
local terms energy: -452.079723
where:
bonds (distance) C4'-P energy: -131.014
bonds (distance) P-C4' energy: -140.943
flat angles C4'-P-C4' energy: -129.872
flat angles P-C4'-P energy: -70.343
tors. eta vs tors. theta energy: 20.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -2895.241439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2895.241439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2895.241439 (E_RNA)
where:
Base-Base interactions energy: -1960.981
where: short stacking energy: -781.096
Base-Backbone interact. energy: -6.419
local terms energy: -927.840600
where:
bonds (distance) C4'-P energy: -178.729
bonds (distance) P-C4' energy: -188.652
flat angles C4'-P-C4' energy: -190.978
flat angles P-C4'-P energy: -133.400
tors. eta vs tors. theta energy: -236.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -2762.519710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2762.519710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2762.519710 (E_RNA)
where:
Base-Base interactions energy: -1833.447
where: short stacking energy: -804.662
Base-Backbone interact. energy: -5.962
local terms energy: -923.110518
where:
bonds (distance) C4'-P energy: -179.304
bonds (distance) P-C4' energy: -167.274
flat angles C4'-P-C4' energy: -202.697
flat angles P-C4'-P energy: -136.815
tors. eta vs tors. theta energy: -237.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -2626.256752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2626.256752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2626.256752 (E_RNA)
where:
Base-Base interactions energy: -1755.224
where: short stacking energy: -748.342
Base-Backbone interact. energy: -1.081
local terms energy: -869.951035
where:
bonds (distance) C4'-P energy: -140.611
bonds (distance) P-C4' energy: -175.394
flat angles C4'-P-C4' energy: -198.883
flat angles P-C4'-P energy: -117.975
tors. eta vs tors. theta energy: -237.089
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: 1
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -2473.170814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2473.170814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2473.170814 (E_RNA)
where:
Base-Base interactions energy: -1658.467
where: short stacking energy: -706.873
Base-Backbone interact. energy: 0.620
local terms energy: -815.324456
where:
bonds (distance) C4'-P energy: -157.016
bonds (distance) P-C4' energy: -153.450
flat angles C4'-P-C4' energy: -190.495
flat angles P-C4'-P energy: -109.017
tors. eta vs tors. theta energy: -205.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -2312.967701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2312.967701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2312.967701 (E_RNA)
where:
Base-Base interactions energy: -1555.319
where: short stacking energy: -696.585
Base-Backbone interact. energy: 4.347
local terms energy: -761.994880
where:
bonds (distance) C4'-P energy: -161.487
bonds (distance) P-C4' energy: -156.140
flat angles C4'-P-C4' energy: -172.606
flat angles P-C4'-P energy: -86.431
tors. eta vs tors. theta energy: -185.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -2022.086824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.086824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.086824 (E_RNA)
where:
Base-Base interactions energy: -1294.624
where: short stacking energy: -581.048
Base-Backbone interact. energy: 3.376
local terms energy: -730.838914
where:
bonds (distance) C4'-P energy: -164.720
bonds (distance) P-C4' energy: -155.089
flat angles C4'-P-C4' energy: -153.164
flat angles P-C4'-P energy: -116.724
tors. eta vs tors. theta energy: -141.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -1615.486656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.486656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.486656 (E_RNA)
where:
Base-Base interactions energy: -961.032
where: short stacking energy: -438.201
Base-Backbone interact. energy: -2.432
local terms energy: -652.022633
where:
bonds (distance) C4'-P energy: -149.184
bonds (distance) P-C4' energy: -150.526
flat angles C4'-P-C4' energy: -157.399
flat angles P-C4'-P energy: -105.379
tors. eta vs tors. theta energy: -89.535
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: 9
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -1212.872060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.872060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.872060 (E_RNA)
where:
Base-Base interactions energy: -677.200
where: short stacking energy: -340.496
Base-Backbone interact. energy: 1.779
local terms energy: -537.450886
where:
bonds (distance) C4'-P energy: -161.791
bonds (distance) P-C4' energy: -133.817
flat angles C4'-P-C4' energy: -140.161
flat angles P-C4'-P energy: -81.888
tors. eta vs tors. theta energy: -19.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -983.977730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.977730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.977730 (E_RNA)
where:
Base-Base interactions energy: -506.968
where: short stacking energy: -284.314
Base-Backbone interact. energy: 0.771
local terms energy: -477.781292
where:
bonds (distance) C4'-P energy: -125.376
bonds (distance) P-C4' energy: -139.847
flat angles C4'-P-C4' energy: -133.015
flat angles P-C4'-P energy: -67.354
tors. eta vs tors. theta energy: -12.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -916.509432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.509432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.509432 (E_RNA)
where:
Base-Base interactions energy: -449.484
where: short stacking energy: -257.840
Base-Backbone interact. energy: 2.882
local terms energy: -469.907094
where:
bonds (distance) C4'-P energy: -136.407
bonds (distance) P-C4' energy: -146.590
flat angles C4'-P-C4' energy: -127.955
flat angles P-C4'-P energy: -59.301
tors. eta vs tors. theta energy: 0.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -2904.906616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2904.906616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2904.906616 (E_RNA)
where:
Base-Base interactions energy: -1999.856
where: short stacking energy: -812.241
Base-Backbone interact. energy: 0.772
local terms energy: -905.823396
where:
bonds (distance) C4'-P energy: -165.865
bonds (distance) P-C4' energy: -169.071
flat angles C4'-P-C4' energy: -205.651
flat angles P-C4'-P energy: -129.728
tors. eta vs tors. theta energy: -235.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -2740.152843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2740.152843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2740.152843 (E_RNA)
where:
Base-Base interactions energy: -1876.267
where: short stacking energy: -778.266
Base-Backbone interact. energy: 2.328
local terms energy: -866.214123
where:
bonds (distance) C4'-P energy: -177.760
bonds (distance) P-C4' energy: -163.385
flat angles C4'-P-C4' energy: -170.005
flat angles P-C4'-P energy: -125.280
tors. eta vs tors. theta energy: -229.785
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: 3, replica: 7
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -2629.406407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2629.406407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2629.406407 (E_RNA)
where:
Base-Base interactions energy: -1768.353
where: short stacking energy: -752.698
Base-Backbone interact. energy: 2.479
local terms energy: -863.531893
where:
bonds (distance) C4'-P energy: -149.916
bonds (distance) P-C4' energy: -171.647
flat angles C4'-P-C4' energy: -202.065
flat angles P-C4'-P energy: -119.423
tors. eta vs tors. theta energy: -220.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -2526.736556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2526.736556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2526.736556 (E_RNA)
where:
Base-Base interactions energy: -1703.657
where: short stacking energy: -713.277
Base-Backbone interact. energy: -5.842
local terms energy: -817.237438
where:
bonds (distance) C4'-P energy: -168.860
bonds (distance) P-C4' energy: -160.365
flat angles C4'-P-C4' energy: -170.377
flat angles P-C4'-P energy: -107.592
tors. eta vs tors. theta energy: -210.043
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: 10
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -2304.687011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2304.687011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2304.687011 (E_RNA)
where:
Base-Base interactions energy: -1548.570
where: short stacking energy: -675.880
Base-Backbone interact. energy: 1.439
local terms energy: -757.555993
where:
bonds (distance) C4'-P energy: -154.639
bonds (distance) P-C4' energy: -141.097
flat angles C4'-P-C4' energy: -167.414
flat angles P-C4'-P energy: -112.579
tors. eta vs tors. theta energy: -181.826
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: 6, replica: 6
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -2054.478704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.478704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.478704 (E_RNA)
where:
Base-Base interactions energy: -1327.642
where: short stacking energy: -576.939
Base-Backbone interact. energy: 1.019
local terms energy: -727.856501
where:
bonds (distance) C4'-P energy: -147.506
bonds (distance) P-C4' energy: -160.684
flat angles C4'-P-C4' energy: -163.585
flat angles P-C4'-P energy: -115.502
tors. eta vs tors. theta energy: -140.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -1547.349634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.349634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.349634 (E_RNA)
where:
Base-Base interactions energy: -906.781
where: short stacking energy: -407.904
Base-Backbone interact. energy: -2.108
local terms energy: -638.460343
where:
bonds (distance) C4'-P energy: -151.752
bonds (distance) P-C4' energy: -167.412
flat angles C4'-P-C4' energy: -150.473
flat angles P-C4'-P energy: -92.815
tors. eta vs tors. theta energy: -76.008
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: 9
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -1256.714836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.714836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.714836 (E_RNA)
where:
Base-Base interactions energy: -707.219
where: short stacking energy: -366.871
Base-Backbone interact. energy: -3.573
local terms energy: -545.922359
where:
bonds (distance) C4'-P energy: -147.465
bonds (distance) P-C4' energy: -133.758
flat angles C4'-P-C4' energy: -135.769
flat angles P-C4'-P energy: -74.512
tors. eta vs tors. theta energy: -54.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -955.159239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.159239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.159239 (E_RNA)
where:
Base-Base interactions energy: -472.350
where: short stacking energy: -290.973
Base-Backbone interact. energy: -1.909
local terms energy: -482.321541
where:
bonds (distance) C4'-P energy: -119.554
bonds (distance) P-C4' energy: -151.000
flat angles C4'-P-C4' energy: -125.463
flat angles P-C4'-P energy: -80.854
tors. eta vs tors. theta energy: -5.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.422 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -870.906629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.906629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.906629 (E_RNA)
where:
Base-Base interactions energy: -425.452
where: short stacking energy: -228.048
Base-Backbone interact. energy: 6.346
local terms energy: -451.800971
where:
bonds (distance) C4'-P energy: -141.272
bonds (distance) P-C4' energy: -143.420
flat angles C4'-P-C4' energy: -111.872
flat angles P-C4'-P energy: -61.195
tors. eta vs tors. theta energy: 5.958
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: 162
Temperature: 0.900000
Total energy: -2919.161931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2919.161931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2919.161931 (E_RNA)
where:
Base-Base interactions energy: -2006.067
where: short stacking energy: -828.537
Base-Backbone interact. energy: -0.333
local terms energy: -912.761592
where:
bonds (distance) C4'-P energy: -172.830
bonds (distance) P-C4' energy: -172.546
flat angles C4'-P-C4' energy: -193.332
flat angles P-C4'-P energy: -125.612
tors. eta vs tors. theta energy: -248.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -2777.262156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2777.262156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2777.262156 (E_RNA)
where:
Base-Base interactions energy: -1869.506
where: short stacking energy: -808.822
Base-Backbone interact. energy: -3.829
local terms energy: -903.927846
where:
bonds (distance) C4'-P energy: -178.032
bonds (distance) P-C4' energy: -172.964
flat angles C4'-P-C4' energy: -192.201
flat angles P-C4'-P energy: -135.255
tors. eta vs tors. theta energy: -225.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -2624.764915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2624.764915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2624.764915 (E_RNA)
where:
Base-Base interactions energy: -1766.767
where: short stacking energy: -784.289
Base-Backbone interact. energy: -4.727
local terms energy: -853.271327
where:
bonds (distance) C4'-P energy: -133.090
bonds (distance) P-C4' energy: -179.051
flat angles C4'-P-C4' energy: -191.198
flat angles P-C4'-P energy: -122.452
tors. eta vs tors. theta energy: -227.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -2499.224308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2499.224308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2499.224308 (E_RNA)
where:
Base-Base interactions energy: -1676.611
where: short stacking energy: -722.492
Base-Backbone interact. energy: -4.041
local terms energy: -818.572176
where:
bonds (distance) C4'-P energy: -165.320
bonds (distance) P-C4' energy: -154.182
flat angles C4'-P-C4' energy: -184.274
flat angles P-C4'-P energy: -108.650
tors. eta vs tors. theta energy: -206.145
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: 10
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -2256.432433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2256.432433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.432433 (E_RNA)
where:
Base-Base interactions energy: -1504.745
where: short stacking energy: -672.785
Base-Backbone interact. energy: -3.614
local terms energy: -748.072863
where:
bonds (distance) C4'-P energy: -161.307
bonds (distance) P-C4' energy: -150.253
flat angles C4'-P-C4' energy: -151.803
flat angles P-C4'-P energy: -102.222
tors. eta vs tors. theta energy: -182.488
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: 6
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -2059.270465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.270465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.270465 (E_RNA)
where:
Base-Base interactions energy: -1344.384
where: short stacking energy: -589.454
Base-Backbone interact. energy: -2.113
local terms energy: -712.773078
where:
bonds (distance) C4'-P energy: -141.988
bonds (distance) P-C4' energy: -156.823
flat angles C4'-P-C4' energy: -176.738
flat angles P-C4'-P energy: -98.592
tors. eta vs tors. theta energy: -138.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -1547.118243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.118243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.118243 (E_RNA)
where:
Base-Base interactions energy: -941.402
where: short stacking energy: -459.085
Base-Backbone interact. energy: 0.400
local terms energy: -606.116032
where:
bonds (distance) C4'-P energy: -140.964
bonds (distance) P-C4' energy: -148.197
flat angles C4'-P-C4' energy: -153.641
flat angles P-C4'-P energy: -87.107
tors. eta vs tors. theta energy: -76.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -1325.197500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.197500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.197500 (E_RNA)
where:
Base-Base interactions energy: -753.441
where: short stacking energy: -367.332
Base-Backbone interact. energy: -1.783
local terms energy: -569.974225
where:
bonds (distance) C4'-P energy: -150.588
bonds (distance) P-C4' energy: -151.239
flat angles C4'-P-C4' energy: -137.668
flat angles P-C4'-P energy: -87.528
tors. eta vs tors. theta energy: -42.952
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: 4
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -827.738936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.738936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.738936 (E_RNA)
where:
Base-Base interactions energy: -352.447
where: short stacking energy: -237.163
Base-Backbone interact. energy: -2.129
local terms energy: -473.162666
where:
bonds (distance) C4'-P energy: -131.069
bonds (distance) P-C4' energy: -149.600
flat angles C4'-P-C4' energy: -122.563
flat angles P-C4'-P energy: -77.314
tors. eta vs tors. theta energy: 7.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -911.878691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.878691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.878691 (E_RNA)
where:
Base-Base interactions energy: -437.625
where: short stacking energy: -242.076
Base-Backbone interact. energy: 3.518
local terms energy: -477.772006
where:
bonds (distance) C4'-P energy: -144.012
bonds (distance) P-C4' energy: -167.057
flat angles C4'-P-C4' energy: -113.920
flat angles P-C4'-P energy: -59.617
tors. eta vs tors. theta energy: 6.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -2928.757658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2928.757658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2928.757658 (E_RNA)
where:
Base-Base interactions energy: -1954.179
where: short stacking energy: -832.599
Base-Backbone interact. energy: -3.899
local terms energy: -970.679760
where:
bonds (distance) C4'-P energy: -189.679
bonds (distance) P-C4' energy: -191.046
flat angles C4'-P-C4' energy: -211.816
flat angles P-C4'-P energy: -126.171
tors. eta vs tors. theta energy: -251.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -2766.828658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2766.828658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2766.828658 (E_RNA)
where:
Base-Base interactions energy: -1882.206
where: short stacking energy: -815.992
Base-Backbone interact. energy: -1.073
local terms energy: -883.550531
where:
bonds (distance) C4'-P energy: -171.551
bonds (distance) P-C4' energy: -166.528
flat angles C4'-P-C4' energy: -202.247
flat angles P-C4'-P energy: -107.588
tors. eta vs tors. theta energy: -235.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -2660.294512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2660.294512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2660.294512 (E_RNA)
where:
Base-Base interactions energy: -1773.698
where: short stacking energy: -737.150
Base-Backbone interact. energy: -2.209
local terms energy: -884.387690
where:
bonds (distance) C4'-P energy: -163.867
bonds (distance) P-C4' energy: -173.065
flat angles C4'-P-C4' energy: -191.387
flat angles P-C4'-P energy: -120.758
tors. eta vs tors. theta energy: -235.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -2468.204800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2468.204800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2468.204800 (E_RNA)
where:
Base-Base interactions energy: -1666.404
where: short stacking energy: -694.204
Base-Backbone interact. energy: -3.180
local terms energy: -798.621578
where:
bonds (distance) C4'-P energy: -157.318
bonds (distance) P-C4' energy: -173.160
flat angles C4'-P-C4' energy: -167.385
flat angles P-C4'-P energy: -105.420
tors. eta vs tors. theta energy: -195.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -2240.380905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2240.380905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2240.380905 (E_RNA)
where:
Base-Base interactions energy: -1476.679
where: short stacking energy: -663.360
Base-Backbone interact. energy: -0.338
local terms energy: -763.363362
where:
bonds (distance) C4'-P energy: -150.880
bonds (distance) P-C4' energy: -165.849
flat angles C4'-P-C4' energy: -174.269
flat angles P-C4'-P energy: -98.052
tors. eta vs tors. theta energy: -174.313
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: 6
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -2070.922384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.922384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.922384 (E_RNA)
where:
Base-Base interactions energy: -1339.612
where: short stacking energy: -602.691
Base-Backbone interact. energy: 0.494
local terms energy: -731.804037
where:
bonds (distance) C4'-P energy: -161.238
bonds (distance) P-C4' energy: -154.242
flat angles C4'-P-C4' energy: -179.246
flat angles P-C4'-P energy: -89.809
tors. eta vs tors. theta energy: -147.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -1575.624639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.624639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.624639 (E_RNA)
where:
Base-Base interactions energy: -926.074
where: short stacking energy: -472.382
Base-Backbone interact. energy: 3.428
local terms energy: -652.978691
where:
bonds (distance) C4'-P energy: -163.226
bonds (distance) P-C4' energy: -158.473
flat angles C4'-P-C4' energy: -162.900
flat angles P-C4'-P energy: -84.275
tors. eta vs tors. theta energy: -84.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -1301.818189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.818189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.818189 (E_RNA)
where:
Base-Base interactions energy: -746.585
where: short stacking energy: -355.113
Base-Backbone interact. energy: 8.600
local terms energy: -563.832356
where:
bonds (distance) C4'-P energy: -140.796
bonds (distance) P-C4' energy: -155.341
flat angles C4'-P-C4' energy: -147.592
flat angles P-C4'-P energy: -80.355
tors. eta vs tors. theta energy: -39.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -843.002195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.002195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.002195 (E_RNA)
where:
Base-Base interactions energy: -396.049
where: short stacking energy: -258.332
Base-Backbone interact. energy: 7.658
local terms energy: -454.612087
where:
bonds (distance) C4'-P energy: -130.496
bonds (distance) P-C4' energy: -149.924
flat angles C4'-P-C4' energy: -126.115
flat angles P-C4'-P energy: -61.188
tors. eta vs tors. theta energy: 13.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -936.507304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.507304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.507304 (E_RNA)
where:
Base-Base interactions energy: -464.269
where: short stacking energy: -240.694
Base-Backbone interact. energy: 0.150
local terms energy: -472.462053
where:
bonds (distance) C4'-P energy: -149.419
bonds (distance) P-C4' energy: -156.405
flat angles C4'-P-C4' energy: -116.695
flat angles P-C4'-P energy: -68.795
tors. eta vs tors. theta energy: 18.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.074 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -2873.715516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2873.715516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2873.715516 (E_RNA)
where:
Base-Base interactions energy: -1967.121
where: short stacking energy: -828.985
Base-Backbone interact. energy: 1.181
local terms energy: -907.775677
where:
bonds (distance) C4'-P energy: -158.743
bonds (distance) P-C4' energy: -170.741
flat angles C4'-P-C4' energy: -209.779
flat angles P-C4'-P energy: -122.390
tors. eta vs tors. theta energy: -246.123
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: 2, replica: 5
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -2737.601124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2737.601124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2737.601124 (E_RNA)
where:
Base-Base interactions energy: -1822.717
where: short stacking energy: -810.432
Base-Backbone interact. energy: -4.462
local terms energy: -910.422537
where:
bonds (distance) C4'-P energy: -164.560
bonds (distance) P-C4' energy: -175.978
flat angles C4'-P-C4' energy: -194.083
flat angles P-C4'-P energy: -129.180
tors. eta vs tors. theta energy: -246.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -2707.249059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2707.249059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2707.249059 (E_RNA)
where:
Base-Base interactions energy: -1835.899
where: short stacking energy: -764.389
Base-Backbone interact. energy: -2.008
local terms energy: -869.342286
where:
bonds (distance) C4'-P energy: -181.658
bonds (distance) P-C4' energy: -163.140
flat angles C4'-P-C4' energy: -180.371
flat angles P-C4'-P energy: -113.545
tors. eta vs tors. theta energy: -230.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -2482.786966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2482.786966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2482.786966 (E_RNA)
where:
Base-Base interactions energy: -1696.637
where: short stacking energy: -687.073
Base-Backbone interact. energy: 1.291
local terms energy: -787.440631
where:
bonds (distance) C4'-P energy: -149.091
bonds (distance) P-C4' energy: -175.484
flat angles C4'-P-C4' energy: -161.035
flat angles P-C4'-P energy: -95.277
tors. eta vs tors. theta energy: -206.554
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: 6
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -2189.828289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2189.828289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2189.828289 (E_RNA)
where:
Base-Base interactions energy: -1408.065
where: short stacking energy: -616.339
Base-Backbone interact. energy: -4.626
local terms energy: -777.137818
where:
bonds (distance) C4'-P energy: -163.011
bonds (distance) P-C4' energy: -163.842
flat angles C4'-P-C4' energy: -182.964
flat angles P-C4'-P energy: -110.006
tors. eta vs tors. theta energy: -157.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -2149.430808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2149.430808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.430808 (E_RNA)
where:
Base-Base interactions energy: -1390.694
where: short stacking energy: -605.898
Base-Backbone interact. energy: 1.699
local terms energy: -760.435460
where:
bonds (distance) C4'-P energy: -145.285
bonds (distance) P-C4' energy: -169.172
flat angles C4'-P-C4' energy: -175.973
flat angles P-C4'-P energy: -111.917
tors. eta vs tors. theta energy: -158.088
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: 8
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -1578.441417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.441417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.441417 (E_RNA)
where:
Base-Base interactions energy: -976.204
where: short stacking energy: -445.763
Base-Backbone interact. energy: 2.712
local terms energy: -605.825097
where:
bonds (distance) C4'-P energy: -136.472
bonds (distance) P-C4' energy: -143.568
flat angles C4'-P-C4' energy: -152.041
flat angles P-C4'-P energy: -91.040
tors. eta vs tors. theta energy: -82.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.875 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -1360.881071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.881071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.881071 (E_RNA)
where:
Base-Base interactions energy: -805.347
where: short stacking energy: -380.692
Base-Backbone interact. energy: 6.300
local terms energy: -561.833915
where:
bonds (distance) C4'-P energy: -130.609
bonds (distance) P-C4' energy: -139.819
flat angles C4'-P-C4' energy: -140.345
flat angles P-C4'-P energy: -101.799
tors. eta vs tors. theta energy: -49.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -1065.581342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.581342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.581342 (E_RNA)
where:
Base-Base interactions energy: -537.304
where: short stacking energy: -296.974
Base-Backbone interact. energy: -1.646
local terms energy: -526.631497
where:
bonds (distance) C4'-P energy: -137.619
bonds (distance) P-C4' energy: -161.800
flat angles C4'-P-C4' energy: -116.963
flat angles P-C4'-P energy: -78.590
tors. eta vs tors. theta energy: -31.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -849.324821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.324821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.324821 (E_RNA)
where:
Base-Base interactions energy: -396.415
where: short stacking energy: -249.219
Base-Backbone interact. energy: 0.815
local terms energy: -453.724117
where:
bonds (distance) C4'-P energy: -119.981
bonds (distance) P-C4' energy: -125.132
flat angles C4'-P-C4' energy: -151.042
flat angles P-C4'-P energy: -70.999
tors. eta vs tors. theta energy: 13.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -2915.646325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2915.646325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2915.646325 (E_RNA)
where:
Base-Base interactions energy: -1973.595
where: short stacking energy: -827.335
Base-Backbone interact. energy: -7.843
local terms energy: -934.208972
where:
bonds (distance) C4'-P energy: -184.458
bonds (distance) P-C4' energy: -174.496
flat angles C4'-P-C4' energy: -195.108
flat angles P-C4'-P energy: -135.480
tors. eta vs tors. theta energy: -244.667
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: 5
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -2750.314581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2750.314581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2750.314581 (E_RNA)
where:
Base-Base interactions energy: -1838.087
where: short stacking energy: -815.939
Base-Backbone interact. energy: -1.492
local terms energy: -910.735970
where:
bonds (distance) C4'-P energy: -190.963
bonds (distance) P-C4' energy: -167.970
flat angles C4'-P-C4' energy: -191.986
flat angles P-C4'-P energy: -125.155
tors. eta vs tors. theta energy: -234.661
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: 7
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -2733.535128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2733.535128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2733.535128 (E_RNA)
where:
Base-Base interactions energy: -1827.675
where: short stacking energy: -810.826
Base-Backbone interact. energy: -2.575
local terms energy: -903.285554
where:
bonds (distance) C4'-P energy: -163.821
bonds (distance) P-C4' energy: -174.203
flat angles C4'-P-C4' energy: -201.517
flat angles P-C4'-P energy: -113.416
tors. eta vs tors. theta energy: -250.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -2490.266795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2490.266795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2490.266795 (E_RNA)
where:
Base-Base interactions energy: -1671.463
where: short stacking energy: -720.453
Base-Backbone interact. energy: -4.942
local terms energy: -813.861313
where:
bonds (distance) C4'-P energy: -149.707
bonds (distance) P-C4' energy: -159.309
flat angles C4'-P-C4' energy: -179.764
flat angles P-C4'-P energy: -113.777
tors. eta vs tors. theta energy: -211.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -2229.046777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2229.046777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2229.046777 (E_RNA)
where:
Base-Base interactions energy: -1471.101
where: short stacking energy: -641.377
Base-Backbone interact. energy: -3.730
local terms energy: -754.215568
where:
bonds (distance) C4'-P energy: -171.945
bonds (distance) P-C4' energy: -142.866
flat angles C4'-P-C4' energy: -155.006
flat angles P-C4'-P energy: -115.698
tors. eta vs tors. theta energy: -168.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -2174.909161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2174.909161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.909161 (E_RNA)
where:
Base-Base interactions energy: -1458.032
where: short stacking energy: -648.303
Base-Backbone interact. energy: -0.266
local terms energy: -716.611330
where:
bonds (distance) C4'-P energy: -124.182
bonds (distance) P-C4' energy: -162.418
flat angles C4'-P-C4' energy: -158.596
flat angles P-C4'-P energy: -93.092
tors. eta vs tors. theta energy: -178.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -1501.688603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.688603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.688603 (E_RNA)
where:
Base-Base interactions energy: -870.464
where: short stacking energy: -435.000
Base-Backbone interact. energy: 0.983
local terms energy: -632.208234
where:
bonds (distance) C4'-P energy: -152.549
bonds (distance) P-C4' energy: -164.378
flat angles C4'-P-C4' energy: -147.212
flat angles P-C4'-P energy: -82.839
tors. eta vs tors. theta energy: -85.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -1316.566668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.566668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.566668 (E_RNA)
where:
Base-Base interactions energy: -754.117
where: short stacking energy: -394.248
Base-Backbone interact. energy: 4.205
local terms energy: -566.655034
where:
bonds (distance) C4'-P energy: -152.934
bonds (distance) P-C4' energy: -144.223
flat angles C4'-P-C4' energy: -112.275
flat angles P-C4'-P energy: -96.730
tors. eta vs tors. theta energy: -60.493
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: 165
Temperature: 1.300000
Total energy: -1061.581525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.581525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.581525 (E_RNA)
where:
Base-Base interactions energy: -598.138
where: short stacking energy: -311.759
Base-Backbone interact. energy: 2.729
local terms energy: -466.172401
where:
bonds (distance) C4'-P energy: -114.737
bonds (distance) P-C4' energy: -145.803
flat angles C4'-P-C4' energy: -110.022
flat angles P-C4'-P energy: -67.562
tors. eta vs tors. theta energy: -28.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -788.414883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.414883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.414883 (E_RNA)
where:
Base-Base interactions energy: -303.942
where: short stacking energy: -195.027
Base-Backbone interact. energy: 0.356
local terms energy: -484.828606
where:
bonds (distance) C4'-P energy: -135.548
bonds (distance) P-C4' energy: -155.403
flat angles C4'-P-C4' energy: -130.720
flat angles P-C4'-P energy: -87.925
tors. eta vs tors. theta energy: 24.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -2895.025104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2895.025104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2895.025104 (E_RNA)
where:
Base-Base interactions energy: -1930.918
where: short stacking energy: -800.364
Base-Backbone interact. energy: -6.211
local terms energy: -957.896780
where:
bonds (distance) C4'-P energy: -188.336
bonds (distance) P-C4' energy: -197.448
flat angles C4'-P-C4' energy: -198.994
flat angles P-C4'-P energy: -121.043
tors. eta vs tors. theta energy: -252.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -2791.417555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2791.417555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2791.417555 (E_RNA)
where:
Base-Base interactions energy: -1885.809
where: short stacking energy: -806.815
Base-Backbone interact. energy: -4.350
local terms energy: -901.258569
where:
bonds (distance) C4'-P energy: -175.797
bonds (distance) P-C4' energy: -182.404
flat angles C4'-P-C4' energy: -200.070
flat angles P-C4'-P energy: -111.623
tors. eta vs tors. theta energy: -231.364
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: 7
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -2686.855539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2686.855539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2686.855539 (E_RNA)
where:
Base-Base interactions energy: -1811.488
where: short stacking energy: -762.047
Base-Backbone interact. energy: -3.530
local terms energy: -871.837770
where:
bonds (distance) C4'-P energy: -176.034
bonds (distance) P-C4' energy: -172.394
flat angles C4'-P-C4' energy: -191.595
flat angles P-C4'-P energy: -99.730
tors. eta vs tors. theta energy: -232.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -2545.449172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2545.449172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2545.449172 (E_RNA)
where:
Base-Base interactions energy: -1700.300
where: short stacking energy: -740.568
Base-Backbone interact. energy: -3.676
local terms energy: -841.472877
where:
bonds (distance) C4'-P energy: -155.013
bonds (distance) P-C4' energy: -170.342
flat angles C4'-P-C4' energy: -175.715
flat angles P-C4'-P energy: -110.322
tors. eta vs tors. theta energy: -230.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -2173.580615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.580615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2173.580615 (E_RNA)
where:
Base-Base interactions energy: -1420.871
where: short stacking energy: -600.573
Base-Backbone interact. energy: -3.243
local terms energy: -749.466969
where:
bonds (distance) C4'-P energy: -156.415
bonds (distance) P-C4' energy: -163.596
flat angles C4'-P-C4' energy: -154.184
flat angles P-C4'-P energy: -116.715
tors. eta vs tors. theta energy: -158.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -2145.471346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2145.471346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2145.471346 (E_RNA)
where:
Base-Base interactions energy: -1422.579
where: short stacking energy: -629.480
Base-Backbone interact. energy: -0.909
local terms energy: -721.983216
where:
bonds (distance) C4'-P energy: -138.148
bonds (distance) P-C4' energy: -143.454
flat angles C4'-P-C4' energy: -163.398
flat angles P-C4'-P energy: -92.136
tors. eta vs tors. theta energy: -184.848
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: 7, replica: 8
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -1515.702560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1515.702560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1515.702560 (E_RNA)
where:
Base-Base interactions energy: -895.788
where: short stacking energy: -437.281
Base-Backbone interact. energy: -1.250
local terms energy: -618.664901
where:
bonds (distance) C4'-P energy: -118.352
bonds (distance) P-C4' energy: -145.279
flat angles C4'-P-C4' energy: -162.774
flat angles P-C4'-P energy: -111.521
tors. eta vs tors. theta energy: -80.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -1393.329050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.329050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.329050 (E_RNA)
where:
Base-Base interactions energy: -813.645
where: short stacking energy: -418.801
Base-Backbone interact. energy: 2.242
local terms energy: -581.926029
where:
bonds (distance) C4'-P energy: -134.723
bonds (distance) P-C4' energy: -158.625
flat angles C4'-P-C4' energy: -134.158
flat angles P-C4'-P energy: -88.143
tors. eta vs tors. theta energy: -66.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -1040.228162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.228162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.228162 (E_RNA)
where:
Base-Base interactions energy: -556.034
where: short stacking energy: -290.699
Base-Backbone interact. energy: -1.427
local terms energy: -485.234978
where:
bonds (distance) C4'-P energy: -158.779
bonds (distance) P-C4' energy: -138.509
flat angles C4'-P-C4' energy: -121.419
flat angles P-C4'-P energy: -69.446
tors. eta vs tors. theta energy: 2.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.468 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -759.150801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.150801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.150801 (E_RNA)
where:
Base-Base interactions energy: -325.195
where: short stacking energy: -206.842
Base-Backbone interact. energy: 2.432
local terms energy: -436.388020
where:
bonds (distance) C4'-P energy: -144.342
bonds (distance) P-C4' energy: -151.733
flat angles C4'-P-C4' energy: -121.652
flat angles P-C4'-P energy: -63.308
tors. eta vs tors. theta energy: 44.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -2924.689319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2924.689319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2924.689319 (E_RNA)
where:
Base-Base interactions energy: -1991.350
where: short stacking energy: -838.595
Base-Backbone interact. energy: -2.294
local terms energy: -931.045456
where:
bonds (distance) C4'-P energy: -177.181
bonds (distance) P-C4' energy: -185.430
flat angles C4'-P-C4' energy: -202.416
flat angles P-C4'-P energy: -126.744
tors. eta vs tors. theta energy: -239.274
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: 5
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -2774.905509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2774.905509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2774.905509 (E_RNA)
where:
Base-Base interactions energy: -1855.858
where: short stacking energy: -771.818
Base-Backbone interact. energy: -2.557
local terms energy: -916.490966
where:
bonds (distance) C4'-P energy: -169.940
bonds (distance) P-C4' energy: -197.909
flat angles C4'-P-C4' energy: -204.844
flat angles P-C4'-P energy: -119.269
tors. eta vs tors. theta energy: -224.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -2709.725396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2709.725396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2709.725396 (E_RNA)
where:
Base-Base interactions energy: -1835.540
where: short stacking energy: -769.028
Base-Backbone interact. energy: -1.428
local terms energy: -872.757945
where:
bonds (distance) C4'-P energy: -171.980
bonds (distance) P-C4' energy: -165.856
flat angles C4'-P-C4' energy: -179.528
flat angles P-C4'-P energy: -116.559
tors. eta vs tors. theta energy: -238.835
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: 4, replica: 1
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -2565.009933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2565.009933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2565.009933 (E_RNA)
where:
Base-Base interactions energy: -1726.312
where: short stacking energy: -724.745
Base-Backbone interact. energy: -1.035
local terms energy: -837.662591
where:
bonds (distance) C4'-P energy: -162.591
bonds (distance) P-C4' energy: -177.492
flat angles C4'-P-C4' energy: -175.624
flat angles P-C4'-P energy: -108.447
tors. eta vs tors. theta energy: -213.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -2194.628691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.628691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.628691 (E_RNA)
where:
Base-Base interactions energy: -1443.100
where: short stacking energy: -600.762
Base-Backbone interact. energy: -0.327
local terms energy: -751.201440
where:
bonds (distance) C4'-P energy: -152.369
bonds (distance) P-C4' energy: -177.002
flat angles C4'-P-C4' energy: -172.598
flat angles P-C4'-P energy: -107.634
tors. eta vs tors. theta energy: -141.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -2100.192546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.192546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.192546 (E_RNA)
where:
Base-Base interactions energy: -1368.165
where: short stacking energy: -622.707
Base-Backbone interact. energy: -1.064
local terms energy: -730.963788
where:
bonds (distance) C4'-P energy: -171.027
bonds (distance) P-C4' energy: -164.153
flat angles C4'-P-C4' energy: -142.372
flat angles P-C4'-P energy: -101.194
tors. eta vs tors. theta energy: -152.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -1540.539696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.539696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.539696 (E_RNA)
where:
Base-Base interactions energy: -907.142
where: short stacking energy: -415.474
Base-Backbone interact. energy: 0.087
local terms energy: -633.623706
where:
bonds (distance) C4'-P energy: -152.824
bonds (distance) P-C4' energy: -158.248
flat angles C4'-P-C4' energy: -163.012
flat angles P-C4'-P energy: -93.658
tors. eta vs tors. theta energy: -65.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.139 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -1348.386903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.386903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.386903 (E_RNA)
where:
Base-Base interactions energy: -789.235
where: short stacking energy: -374.686
Base-Backbone interact. energy: 0.774
local terms energy: -559.925526
where:
bonds (distance) C4'-P energy: -142.558
bonds (distance) P-C4' energy: -155.782
flat angles C4'-P-C4' energy: -147.578
flat angles P-C4'-P energy: -71.294
tors. eta vs tors. theta energy: -42.714
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: 167
Temperature: 1.300000
Total energy: -1089.706518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.706518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.706518 (E_RNA)
where:
Base-Base interactions energy: -592.354
where: short stacking energy: -296.201
Base-Backbone interact. energy: 2.598
local terms energy: -499.950365
where:
bonds (distance) C4'-P energy: -137.840
bonds (distance) P-C4' energy: -153.977
flat angles C4'-P-C4' energy: -115.079
flat angles P-C4'-P energy: -67.534
tors. eta vs tors. theta energy: -25.521
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: 4
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -810.600478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.600478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.600478 (E_RNA)
where:
Base-Base interactions energy: -350.740
where: short stacking energy: -224.232
Base-Backbone interact. energy: 5.188
local terms energy: -465.047940
where:
bonds (distance) C4'-P energy: -150.554
bonds (distance) P-C4' energy: -156.911
flat angles C4'-P-C4' energy: -113.114
flat angles P-C4'-P energy: -62.240
tors. eta vs tors. theta energy: 17.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -2921.577619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2921.577619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2921.577619 (E_RNA)
where:
Base-Base interactions energy: -2005.003
where: short stacking energy: -841.457
Base-Backbone interact. energy: -5.707
local terms energy: -910.867930
where:
bonds (distance) C4'-P energy: -168.389
bonds (distance) P-C4' energy: -169.021
flat angles C4'-P-C4' energy: -201.988
flat angles P-C4'-P energy: -136.365
tors. eta vs tors. theta energy: -235.105
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: 2, replica: 5
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -2748.030049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2748.030049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2748.030049 (E_RNA)
where:
Base-Base interactions energy: -1846.003
where: short stacking energy: -777.143
Base-Backbone interact. energy: -5.624
local terms energy: -896.403661
where:
bonds (distance) C4'-P energy: -150.750
bonds (distance) P-C4' energy: -178.095
flat angles C4'-P-C4' energy: -192.989
flat angles P-C4'-P energy: -135.870
tors. eta vs tors. theta energy: -238.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -2736.734476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2736.734476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2736.734476 (E_RNA)
where:
Base-Base interactions energy: -1892.577
where: short stacking energy: -820.477
Base-Backbone interact. energy: -0.790
local terms energy: -843.367561
where:
bonds (distance) C4'-P energy: -145.512
bonds (distance) P-C4' energy: -167.455
flat angles C4'-P-C4' energy: -189.145
flat angles P-C4'-P energy: -124.693
tors. eta vs tors. theta energy: -216.563
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: 4, replica: 1
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -2518.338470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2518.338470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2518.338470 (E_RNA)
where:
Base-Base interactions energy: -1693.935
where: short stacking energy: -721.459
Base-Backbone interact. energy: -6.621
local terms energy: -817.782993
where:
bonds (distance) C4'-P energy: -160.516
bonds (distance) P-C4' energy: -162.954
flat angles C4'-P-C4' energy: -181.401
flat angles P-C4'-P energy: -104.231
tors. eta vs tors. theta energy: -208.680
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: 10
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -2187.046498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.046498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.046498 (E_RNA)
where:
Base-Base interactions energy: -1425.943
where: short stacking energy: -636.603
Base-Backbone interact. energy: -6.429
local terms energy: -754.673813
where:
bonds (distance) C4'-P energy: -158.502
bonds (distance) P-C4' energy: -150.689
flat angles C4'-P-C4' energy: -168.689
flat angles P-C4'-P energy: -105.909
tors. eta vs tors. theta energy: -170.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -2179.831136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.831136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2179.831136 (E_RNA)
where:
Base-Base interactions energy: -1420.902
where: short stacking energy: -602.116
Base-Backbone interact. energy: -1.618
local terms energy: -757.311200
where:
bonds (distance) C4'-P energy: -154.777
bonds (distance) P-C4' energy: -148.441
flat angles C4'-P-C4' energy: -178.070
flat angles P-C4'-P energy: -111.123
tors. eta vs tors. theta energy: -164.901
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: 7, replica: 8
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -1556.930191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.930191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.930191 (E_RNA)
where:
Base-Base interactions energy: -930.898
where: short stacking energy: -443.793
Base-Backbone interact. energy: 2.587
local terms energy: -628.619456
where:
bonds (distance) C4'-P energy: -160.509
bonds (distance) P-C4' energy: -155.831
flat angles C4'-P-C4' energy: -155.272
flat angles P-C4'-P energy: -69.218
tors. eta vs tors. theta energy: -87.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -1384.408401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.408401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.408401 (E_RNA)
where:
Base-Base interactions energy: -812.644
where: short stacking energy: -376.459
Base-Backbone interact. energy: 9.366
local terms energy: -581.130208
where:
bonds (distance) C4'-P energy: -163.689
bonds (distance) P-C4' energy: -145.126
flat angles C4'-P-C4' energy: -142.896
flat angles P-C4'-P energy: -88.392
tors. eta vs tors. theta energy: -41.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -1088.216628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.216628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.216628 (E_RNA)
where:
Base-Base interactions energy: -569.756
where: short stacking energy: -306.667
Base-Backbone interact. energy: 6.581
local terms energy: -526.785883
where:
bonds (distance) C4'-P energy: -167.820
bonds (distance) P-C4' energy: -140.096
flat angles C4'-P-C4' energy: -117.848
flat angles P-C4'-P energy: -77.555
tors. eta vs tors. theta energy: -23.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.745 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -796.608612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.608612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.608612 (E_RNA)
where:
Base-Base interactions energy: -314.327
where: short stacking energy: -196.725
Base-Backbone interact. energy: -5.016
local terms energy: -477.266196
where:
bonds (distance) C4'-P energy: -135.689
bonds (distance) P-C4' energy: -148.270
flat angles C4'-P-C4' energy: -124.038
flat angles P-C4'-P energy: -76.688
tors. eta vs tors. theta energy: 7.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -2913.631354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2913.631354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2913.631354 (E_RNA)
where:
Base-Base interactions energy: -2002.756
where: short stacking energy: -864.425
Base-Backbone interact. energy: 0.317
local terms energy: -911.192277
where:
bonds (distance) C4'-P energy: -163.198
bonds (distance) P-C4' energy: -173.423
flat angles C4'-P-C4' energy: -201.279
flat angles P-C4'-P energy: -127.395
tors. eta vs tors. theta energy: -245.897
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: 5
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -2751.667641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2751.667641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2751.667641 (E_RNA)
where:
Base-Base interactions energy: -1875.809
where: short stacking energy: -787.473
Base-Backbone interact. energy: -5.522
local terms energy: -870.336484
where:
bonds (distance) C4'-P energy: -177.906
bonds (distance) P-C4' energy: -172.474
flat angles C4'-P-C4' energy: -185.729
flat angles P-C4'-P energy: -122.631
tors. eta vs tors. theta energy: -211.597
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: 7
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -2684.185000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2684.185000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2684.185000 (E_RNA)
where:
Base-Base interactions energy: -1800.885
where: short stacking energy: -763.411
Base-Backbone interact. energy: -2.049
local terms energy: -881.250404
where:
bonds (distance) C4'-P energy: -171.740
bonds (distance) P-C4' energy: -172.079
flat angles C4'-P-C4' energy: -195.358
flat angles P-C4'-P energy: -128.509
tors. eta vs tors. theta energy: -213.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -2516.869970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2516.869970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2516.869970 (E_RNA)
where:
Base-Base interactions energy: -1734.295
where: short stacking energy: -697.836
Base-Backbone interact. energy: -4.218
local terms energy: -778.357300
where:
bonds (distance) C4'-P energy: -143.596
bonds (distance) P-C4' energy: -165.071
flat angles C4'-P-C4' energy: -175.644
flat angles P-C4'-P energy: -95.810
tors. eta vs tors. theta energy: -198.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -2269.144697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2269.144697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.144697 (E_RNA)
where:
Base-Base interactions energy: -1467.848
where: short stacking energy: -661.571
Base-Backbone interact. energy: 4.554
local terms energy: -805.850408
where:
bonds (distance) C4'-P energy: -162.350
bonds (distance) P-C4' energy: -162.791
flat angles C4'-P-C4' energy: -178.198
flat angles P-C4'-P energy: -116.161
tors. eta vs tors. theta energy: -186.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -2126.623255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.623255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.623255 (E_RNA)
where:
Base-Base interactions energy: -1415.571
where: short stacking energy: -603.364
Base-Backbone interact. energy: -3.101
local terms energy: -707.951455
where:
bonds (distance) C4'-P energy: -177.847
bonds (distance) P-C4' energy: -128.829
flat angles C4'-P-C4' energy: -185.105
flat angles P-C4'-P energy: -75.352
tors. eta vs tors. theta energy: -140.818
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: 8
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -1581.624885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.624885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.624885 (E_RNA)
where:
Base-Base interactions energy: -922.902
where: short stacking energy: -467.846
Base-Backbone interact. energy: -0.006
local terms energy: -658.717312
where:
bonds (distance) C4'-P energy: -159.461
bonds (distance) P-C4' energy: -162.142
flat angles C4'-P-C4' energy: -126.473
flat angles P-C4'-P energy: -115.078
tors. eta vs tors. theta energy: -95.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -1430.446242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.446242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.446242 (E_RNA)
where:
Base-Base interactions energy: -831.917
where: short stacking energy: -410.239
Base-Backbone interact. energy: -2.637
local terms energy: -595.892111
where:
bonds (distance) C4'-P energy: -142.534
bonds (distance) P-C4' energy: -132.549
flat angles C4'-P-C4' energy: -160.345
flat angles P-C4'-P energy: -79.624
tors. eta vs tors. theta energy: -80.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -1113.551449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.551449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.551449 (E_RNA)
where:
Base-Base interactions energy: -615.825
where: short stacking energy: -331.055
Base-Backbone interact. energy: 0.118
local terms energy: -497.844499
where:
bonds (distance) C4'-P energy: -125.613
bonds (distance) P-C4' energy: -145.954
flat angles C4'-P-C4' energy: -120.904
flat angles P-C4'-P energy: -71.072
tors. eta vs tors. theta energy: -34.301
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: 4
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -803.202607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.202607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.202607 (E_RNA)
where:
Base-Base interactions energy: -360.752
where: short stacking energy: -251.081
Base-Backbone interact. energy: -0.209
local terms energy: -442.241226
where:
bonds (distance) C4'-P energy: -140.724
bonds (distance) P-C4' energy: -148.824
flat angles C4'-P-C4' energy: -119.924
flat angles P-C4'-P energy: -61.267
tors. eta vs tors. theta energy: 28.497
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: 3
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -2896.665157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2896.665157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2896.665157 (E_RNA)
where:
Base-Base interactions energy: -2002.774
where: short stacking energy: -822.852
Base-Backbone interact. energy: -1.405
local terms energy: -892.486178
where:
bonds (distance) C4'-P energy: -150.277
bonds (distance) P-C4' energy: -181.388
flat angles C4'-P-C4' energy: -185.047
flat angles P-C4'-P energy: -138.173
tors. eta vs tors. theta energy: -237.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -2709.328859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2709.328859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2709.328859 (E_RNA)
where:
Base-Base interactions energy: -1833.073
where: short stacking energy: -800.104
Base-Backbone interact. energy: 0.900
local terms energy: -877.156613
where:
bonds (distance) C4'-P energy: -182.904
bonds (distance) P-C4' energy: -159.514
flat angles C4'-P-C4' energy: -197.088
flat angles P-C4'-P energy: -116.437
tors. eta vs tors. theta energy: -221.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -2706.030747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2706.030747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2706.030747 (E_RNA)
where:
Base-Base interactions energy: -1813.124
where: short stacking energy: -786.223
Base-Backbone interact. energy: -2.291
local terms energy: -890.615870
where:
bonds (distance) C4'-P energy: -158.119
bonds (distance) P-C4' energy: -174.112
flat angles C4'-P-C4' energy: -199.152
flat angles P-C4'-P energy: -113.236
tors. eta vs tors. theta energy: -245.998
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: 1
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -2531.240311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2531.240311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2531.240311 (E_RNA)
where:
Base-Base interactions energy: -1717.134
where: short stacking energy: -707.367
Base-Backbone interact. energy: -3.020
local terms energy: -811.086152
where:
bonds (distance) C4'-P energy: -155.547
bonds (distance) P-C4' energy: -157.785
flat angles C4'-P-C4' energy: -191.219
flat angles P-C4'-P energy: -110.156
tors. eta vs tors. theta energy: -196.378
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: 170
Temperature: 1.100000
Total energy: -2272.055129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2272.055129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2272.055129 (E_RNA)
where:
Base-Base interactions energy: -1524.892
where: short stacking energy: -676.412
Base-Backbone interact. energy: -3.428
local terms energy: -743.735324
where:
bonds (distance) C4'-P energy: -154.151
bonds (distance) P-C4' energy: -156.063
flat angles C4'-P-C4' energy: -159.511
flat angles P-C4'-P energy: -91.959
tors. eta vs tors. theta energy: -182.052
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: 6
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -2086.544683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.544683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2086.544683 (E_RNA)
where:
Base-Base interactions energy: -1342.943
where: short stacking energy: -556.205
Base-Backbone interact. energy: -3.363
local terms energy: -740.239197
where:
bonds (distance) C4'-P energy: -151.998
bonds (distance) P-C4' energy: -168.947
flat angles C4'-P-C4' energy: -162.294
flat angles P-C4'-P energy: -112.912
tors. eta vs tors. theta energy: -144.089
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: 7, replica: 8
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -1434.775947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.775947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.775947 (E_RNA)
where:
Base-Base interactions energy: -857.399
where: short stacking energy: -430.983
Base-Backbone interact. energy: 7.201
local terms energy: -584.577894
where:
bonds (distance) C4'-P energy: -124.930
bonds (distance) P-C4' energy: -156.049
flat angles C4'-P-C4' energy: -139.842
flat angles P-C4'-P energy: -100.465
tors. eta vs tors. theta energy: -63.292
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: 9
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -1307.709798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.709798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.709798 (E_RNA)
where:
Base-Base interactions energy: -743.447
where: short stacking energy: -350.415
Base-Backbone interact. energy: -2.854
local terms energy: -561.409213
where:
bonds (distance) C4'-P energy: -146.571
bonds (distance) P-C4' energy: -153.085
flat angles C4'-P-C4' energy: -125.201
flat angles P-C4'-P energy: -91.601
tors. eta vs tors. theta energy: -44.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -1200.091691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.091691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.091691 (E_RNA)
where:
Base-Base interactions energy: -651.495
where: short stacking energy: -325.068
Base-Backbone interact. energy: -6.882
local terms energy: -541.714239
where:
bonds (distance) C4'-P energy: -137.780
bonds (distance) P-C4' energy: -151.928
flat angles C4'-P-C4' energy: -128.467
flat angles P-C4'-P energy: -101.666
tors. eta vs tors. theta energy: -21.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -793.043093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.043093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.043093 (E_RNA)
where:
Base-Base interactions energy: -357.229
where: short stacking energy: -215.030
Base-Backbone interact. energy: -0.780
local terms energy: -435.033469
where:
bonds (distance) C4'-P energy: -152.919
bonds (distance) P-C4' energy: -131.854
flat angles C4'-P-C4' energy: -118.732
flat angles P-C4'-P energy: -68.086
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: 1, replica: 3
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -2898.188734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2898.188734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2898.188734 (E_RNA)
where:
Base-Base interactions energy: -2022.160
where: short stacking energy: -832.914
Base-Backbone interact. energy: -3.551
local terms energy: -872.478315
where:
bonds (distance) C4'-P energy: -171.364
bonds (distance) P-C4' energy: -177.831
flat angles C4'-P-C4' energy: -170.078
flat angles P-C4'-P energy: -114.352
tors. eta vs tors. theta energy: -238.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -2714.658196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2714.658196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2714.658196 (E_RNA)
where:
Base-Base interactions energy: -1828.017
where: short stacking energy: -788.545
Base-Backbone interact. energy: -4.859
local terms energy: -881.781698
where:
bonds (distance) C4'-P energy: -157.489
bonds (distance) P-C4' energy: -167.638
flat angles C4'-P-C4' energy: -188.783
flat angles P-C4'-P energy: -136.823
tors. eta vs tors. theta energy: -231.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -2690.215924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2690.215924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2690.215924 (E_RNA)
where:
Base-Base interactions energy: -1772.967
where: short stacking energy: -767.688
Base-Backbone interact. energy: 1.660
local terms energy: -918.909305
where:
bonds (distance) C4'-P energy: -178.865
bonds (distance) P-C4' energy: -184.595
flat angles C4'-P-C4' energy: -183.108
flat angles P-C4'-P energy: -147.367
tors. eta vs tors. theta energy: -224.975
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: 1
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -2485.512540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2485.512540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2485.512540 (E_RNA)
where:
Base-Base interactions energy: -1662.942
where: short stacking energy: -698.154
Base-Backbone interact. energy: -1.215
local terms energy: -821.356185
where:
bonds (distance) C4'-P energy: -152.169
bonds (distance) P-C4' energy: -176.879
flat angles C4'-P-C4' energy: -179.825
flat angles P-C4'-P energy: -118.002
tors. eta vs tors. theta energy: -194.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -2287.710094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2287.710094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2287.710094 (E_RNA)
where:
Base-Base interactions energy: -1512.369
where: short stacking energy: -644.672
Base-Backbone interact. energy: -2.215
local terms energy: -773.125954
where:
bonds (distance) C4'-P energy: -143.685
bonds (distance) P-C4' energy: -160.194
flat angles C4'-P-C4' energy: -163.597
flat angles P-C4'-P energy: -115.824
tors. eta vs tors. theta energy: -189.827
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: 6
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -2003.327668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.327668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.327668 (E_RNA)
where:
Base-Base interactions energy: -1283.137
where: short stacking energy: -585.795
Base-Backbone interact. energy: -0.278
local terms energy: -719.912891
where:
bonds (distance) C4'-P energy: -133.493
bonds (distance) P-C4' energy: -170.903
flat angles C4'-P-C4' energy: -156.789
flat angles P-C4'-P energy: -113.259
tors. eta vs tors. theta energy: -145.470
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: 8
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -1440.113173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.113173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.113173 (E_RNA)
where:
Base-Base interactions energy: -824.736
where: short stacking energy: -418.123
Base-Backbone interact. energy: -0.453
local terms energy: -614.924537
where:
bonds (distance) C4'-P energy: -145.818
bonds (distance) P-C4' energy: -164.894
flat angles C4'-P-C4' energy: -130.072
flat angles P-C4'-P energy: -89.185
tors. eta vs tors. theta energy: -84.956
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: 9
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -1304.518252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.518252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.518252 (E_RNA)
where:
Base-Base interactions energy: -751.022
where: short stacking energy: -388.813
Base-Backbone interact. energy: 0.606
local terms energy: -554.102161
where:
bonds (distance) C4'-P energy: -142.039
bonds (distance) P-C4' energy: -154.196
flat angles C4'-P-C4' energy: -139.431
flat angles P-C4'-P energy: -61.626
tors. eta vs tors. theta energy: -56.810
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: 9, replica: 2
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -1181.093347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.093347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.093347 (E_RNA)
where:
Base-Base interactions energy: -640.757
where: short stacking energy: -308.493
Base-Backbone interact. energy: 0.399
local terms energy: -540.735191
where:
bonds (distance) C4'-P energy: -136.780
bonds (distance) P-C4' energy: -146.116
flat angles C4'-P-C4' energy: -137.083
flat angles P-C4'-P energy: -82.986
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: 10, replica: 4
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -788.507266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.507266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.507266 (E_RNA)
where:
Base-Base interactions energy: -393.667
where: short stacking energy: -251.369
Base-Backbone interact. energy: 4.804
local terms energy: -399.644646
where:
bonds (distance) C4'-P energy: -129.366
bonds (distance) P-C4' energy: -121.235
flat angles C4'-P-C4' energy: -116.757
flat angles P-C4'-P energy: -60.767
tors. eta vs tors. theta energy: 28.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -2910.906386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2910.906386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2910.906386 (E_RNA)
where:
Base-Base interactions energy: -1992.308
where: short stacking energy: -817.384
Base-Backbone interact. energy: 0.224
local terms energy: -918.822090
where:
bonds (distance) C4'-P energy: -176.183
bonds (distance) P-C4' energy: -194.423
flat angles C4'-P-C4' energy: -184.873
flat angles P-C4'-P energy: -127.831
tors. eta vs tors. theta energy: -235.512
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: 2, replica: 5
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -2751.184446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2751.184446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2751.184446 (E_RNA)
where:
Base-Base interactions energy: -1852.554
where: short stacking energy: -781.350
Base-Backbone interact. energy: -2.476
local terms energy: -896.154825
where:
bonds (distance) C4'-P energy: -174.564
bonds (distance) P-C4' energy: -178.099
flat angles C4'-P-C4' energy: -199.531
flat angles P-C4'-P energy: -122.773
tors. eta vs tors. theta energy: -221.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -2718.266657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2718.266657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2718.266657 (E_RNA)
where:
Base-Base interactions energy: -1839.502
where: short stacking energy: -779.519
Base-Backbone interact. energy: -0.446
local terms energy: -878.318005
where:
bonds (distance) C4'-P energy: -158.886
bonds (distance) P-C4' energy: -160.964
flat angles C4'-P-C4' energy: -193.330
flat angles P-C4'-P energy: -133.873
tors. eta vs tors. theta energy: -231.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -2560.478869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2560.478869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2560.478869 (E_RNA)
where:
Base-Base interactions energy: -1732.278
where: short stacking energy: -735.532
Base-Backbone interact. energy: 0.998
local terms energy: -829.199345
where:
bonds (distance) C4'-P energy: -154.216
bonds (distance) P-C4' energy: -161.186
flat angles C4'-P-C4' energy: -167.425
flat angles P-C4'-P energy: -130.226
tors. eta vs tors. theta energy: -216.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -2314.588914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.588914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2314.588914 (E_RNA)
where:
Base-Base interactions energy: -1516.436
where: short stacking energy: -668.670
Base-Backbone interact. energy: -2.907
local terms energy: -795.245974
where:
bonds (distance) C4'-P energy: -142.396
bonds (distance) P-C4' energy: -174.319
flat angles C4'-P-C4' energy: -179.448
flat angles P-C4'-P energy: -111.291
tors. eta vs tors. theta energy: -187.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -2046.574497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.574497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2046.574497 (E_RNA)
where:
Base-Base interactions energy: -1351.248
where: short stacking energy: -570.647
Base-Backbone interact. energy: -1.593
local terms energy: -693.733440
where:
bonds (distance) C4'-P energy: -145.207
bonds (distance) P-C4' energy: -148.678
flat angles C4'-P-C4' energy: -158.965
flat angles P-C4'-P energy: -111.044
tors. eta vs tors. theta energy: -129.840
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: 8
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -1471.744277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.744277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.744277 (E_RNA)
where:
Base-Base interactions energy: -861.667
where: short stacking energy: -415.166
Base-Backbone interact. energy: -2.222
local terms energy: -607.855217
where:
bonds (distance) C4'-P energy: -142.622
bonds (distance) P-C4' energy: -166.379
flat angles C4'-P-C4' energy: -155.645
flat angles P-C4'-P energy: -69.184
tors. eta vs tors. theta energy: -74.026
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: 9
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -1276.946184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.946184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.946184 (E_RNA)
where:
Base-Base interactions energy: -720.202
where: short stacking energy: -368.618
Base-Backbone interact. energy: -1.835
local terms energy: -554.908887
where:
bonds (distance) C4'-P energy: -155.934
bonds (distance) P-C4' energy: -131.288
flat angles C4'-P-C4' energy: -115.985
flat angles P-C4'-P energy: -81.878
tors. eta vs tors. theta energy: -69.824
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: 9, replica: 2
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -1085.022798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.022798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.022798 (E_RNA)
where:
Base-Base interactions energy: -590.471
where: short stacking energy: -296.812
Base-Backbone interact. energy: -1.637
local terms energy: -492.914318
where:
bonds (distance) C4'-P energy: -135.913
bonds (distance) P-C4' energy: -155.189
flat angles C4'-P-C4' energy: -118.299
flat angles P-C4'-P energy: -64.088
tors. eta vs tors. theta energy: -19.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -786.507971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.507971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.507971 (E_RNA)
where:
Base-Base interactions energy: -364.549
where: short stacking energy: -225.055
Base-Backbone interact. energy: 4.634
local terms energy: -426.593017
where:
bonds (distance) C4'-P energy: -144.976
bonds (distance) P-C4' energy: -128.161
flat angles C4'-P-C4' energy: -104.728
flat angles P-C4'-P energy: -64.655
tors. eta vs tors. theta energy: 15.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -2913.790655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2913.790655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2913.790655 (E_RNA)
where:
Base-Base interactions energy: -2012.996
where: short stacking energy: -824.019
Base-Backbone interact. energy: -0.323
local terms energy: -900.471458
where:
bonds (distance) C4'-P energy: -169.469
bonds (distance) P-C4' energy: -178.198
flat angles C4'-P-C4' energy: -197.916
flat angles P-C4'-P energy: -123.244
tors. eta vs tors. theta energy: -231.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -2723.020904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2723.020904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2723.020904 (E_RNA)
where:
Base-Base interactions energy: -1811.551
where: short stacking energy: -801.035
Base-Backbone interact. energy: -0.722
local terms energy: -910.747436
where:
bonds (distance) C4'-P energy: -174.696
bonds (distance) P-C4' energy: -175.421
flat angles C4'-P-C4' energy: -206.242
flat angles P-C4'-P energy: -134.083
tors. eta vs tors. theta energy: -220.306
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: 7
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -2703.008673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2703.008673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2703.008673 (E_RNA)
where:
Base-Base interactions energy: -1809.778
where: short stacking energy: -770.026
Base-Backbone interact. energy: -4.563
local terms energy: -888.668442
where:
bonds (distance) C4'-P energy: -164.304
bonds (distance) P-C4' energy: -172.341
flat angles C4'-P-C4' energy: -187.203
flat angles P-C4'-P energy: -112.752
tors. eta vs tors. theta energy: -252.068
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: 1
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -2419.465570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2419.465570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2419.465570 (E_RNA)
where:
Base-Base interactions energy: -1620.132
where: short stacking energy: -684.361
Base-Backbone interact. energy: -2.761
local terms energy: -796.572894
where:
bonds (distance) C4'-P energy: -156.259
bonds (distance) P-C4' energy: -159.044
flat angles C4'-P-C4' energy: -182.383
flat angles P-C4'-P energy: -110.603
tors. eta vs tors. theta energy: -188.284
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: 10
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -2323.550731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2323.550731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2323.550731 (E_RNA)
where:
Base-Base interactions energy: -1533.252
where: short stacking energy: -682.282
Base-Backbone interact. energy: -1.108
local terms energy: -789.191181
where:
bonds (distance) C4'-P energy: -168.054
bonds (distance) P-C4' energy: -182.952
flat angles C4'-P-C4' energy: -156.133
flat angles P-C4'-P energy: -100.408
tors. eta vs tors. theta energy: -181.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -2114.570804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.570804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.570804 (E_RNA)
where:
Base-Base interactions energy: -1370.194
where: short stacking energy: -572.980
Base-Backbone interact. energy: -3.580
local terms energy: -740.797049
where:
bonds (distance) C4'-P energy: -150.871
bonds (distance) P-C4' energy: -170.696
flat angles C4'-P-C4' energy: -170.766
flat angles P-C4'-P energy: -104.220
tors. eta vs tors. theta energy: -144.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -1518.073866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.073866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.073866 (E_RNA)
where:
Base-Base interactions energy: -943.546
where: short stacking energy: -438.338
Base-Backbone interact. energy: -1.347
local terms energy: -573.180988
where:
bonds (distance) C4'-P energy: -136.136
bonds (distance) P-C4' energy: -141.930
flat angles C4'-P-C4' energy: -138.615
flat angles P-C4'-P energy: -78.866
tors. eta vs tors. theta energy: -77.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -1331.454989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.454989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.454989 (E_RNA)
where:
Base-Base interactions energy: -786.148
where: short stacking energy: -388.000
Base-Backbone interact. energy: -0.046
local terms energy: -545.260998
where:
bonds (distance) C4'-P energy: -118.281
bonds (distance) P-C4' energy: -153.892
flat angles C4'-P-C4' energy: -126.942
flat angles P-C4'-P energy: -84.074
tors. eta vs tors. theta energy: -62.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -1040.446985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.446985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.446985 (E_RNA)
where:
Base-Base interactions energy: -495.784
where: short stacking energy: -261.198
Base-Backbone interact. energy: 0.934
local terms energy: -545.597372
where:
bonds (distance) C4'-P energy: -141.746
bonds (distance) P-C4' energy: -172.150
flat angles C4'-P-C4' energy: -124.239
flat angles P-C4'-P energy: -85.112
tors. eta vs tors. theta energy: -22.351
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: 4
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -773.885282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.885282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.885282 (E_RNA)
where:
Base-Base interactions energy: -352.089
where: short stacking energy: -216.889
Base-Backbone interact. energy: -1.046
local terms energy: -420.750215
where:
bonds (distance) C4'-P energy: -127.551
bonds (distance) P-C4' energy: -158.328
flat angles C4'-P-C4' energy: -110.593
flat angles P-C4'-P energy: -56.475
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: 1, replica: 3
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -2919.946399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2919.946399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2919.946399 (E_RNA)
where:
Base-Base interactions energy: -2022.907
where: short stacking energy: -848.004
Base-Backbone interact. energy: -5.391
local terms energy: -891.647679
where:
bonds (distance) C4'-P energy: -154.784
bonds (distance) P-C4' energy: -177.641
flat angles C4'-P-C4' energy: -191.014
flat angles P-C4'-P energy: -131.958
tors. eta vs tors. theta energy: -236.251
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: 2, replica: 5
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -2727.814898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2727.814898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2727.814898 (E_RNA)
where:
Base-Base interactions energy: -1835.231
where: short stacking energy: -785.365
Base-Backbone interact. energy: -5.313
local terms energy: -887.271214
where:
bonds (distance) C4'-P energy: -177.114
bonds (distance) P-C4' energy: -181.241
flat angles C4'-P-C4' energy: -199.025
flat angles P-C4'-P energy: -102.883
tors. eta vs tors. theta energy: -227.009
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: 3, replica: 7
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -2689.076746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2689.076746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2689.076746 (E_RNA)
where:
Base-Base interactions energy: -1831.470
where: short stacking energy: -768.132
Base-Backbone interact. energy: 2.600
local terms energy: -860.207071
where:
bonds (distance) C4'-P energy: -148.372
bonds (distance) P-C4' energy: -176.865
flat angles C4'-P-C4' energy: -174.708
flat angles P-C4'-P energy: -126.909
tors. eta vs tors. theta energy: -233.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -2488.645606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2488.645606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2488.645606 (E_RNA)
where:
Base-Base interactions energy: -1659.296
where: short stacking energy: -708.469
Base-Backbone interact. energy: -2.361
local terms energy: -826.988782
where:
bonds (distance) C4'-P energy: -162.261
bonds (distance) P-C4' energy: -169.349
flat angles C4'-P-C4' energy: -187.850
flat angles P-C4'-P energy: -104.975
tors. eta vs tors. theta energy: -202.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -2251.292551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2251.292551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.292551 (E_RNA)
where:
Base-Base interactions energy: -1509.365
where: short stacking energy: -667.355
Base-Backbone interact. energy: 0.520
local terms energy: -742.448082
where:
bonds (distance) C4'-P energy: -147.411
bonds (distance) P-C4' energy: -162.588
flat angles C4'-P-C4' energy: -147.939
flat angles P-C4'-P energy: -102.874
tors. eta vs tors. theta energy: -181.636
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: 6
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -1995.449964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.449964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.449964 (E_RNA)
where:
Base-Base interactions energy: -1320.577
where: short stacking energy: -567.537
Base-Backbone interact. energy: -2.413
local terms energy: -672.459696
where:
bonds (distance) C4'-P energy: -151.007
bonds (distance) P-C4' energy: -139.165
flat angles C4'-P-C4' energy: -162.615
flat angles P-C4'-P energy: -93.829
tors. eta vs tors. theta energy: -125.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -1488.910204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.910204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.910204 (E_RNA)
where:
Base-Base interactions energy: -911.907
where: short stacking energy: -433.783
Base-Backbone interact. energy: 0.677
local terms energy: -577.680142
where:
bonds (distance) C4'-P energy: -140.593
bonds (distance) P-C4' energy: -142.966
flat angles C4'-P-C4' energy: -141.544
flat angles P-C4'-P energy: -85.014
tors. eta vs tors. theta energy: -67.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -1347.213926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.213926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.213926 (E_RNA)
where:
Base-Base interactions energy: -783.494
where: short stacking energy: -384.691
Base-Backbone interact. energy: 1.692
local terms energy: -565.411804
where:
bonds (distance) C4'-P energy: -150.686
bonds (distance) P-C4' energy: -155.380
flat angles C4'-P-C4' energy: -123.489
flat angles P-C4'-P energy: -77.359
tors. eta vs tors. theta energy: -58.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -1102.149677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.149677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.149677 (E_RNA)
where:
Base-Base interactions energy: -587.331
where: short stacking energy: -305.874
Base-Backbone interact. energy: -0.223
local terms energy: -514.596139
where:
bonds (distance) C4'-P energy: -125.624
bonds (distance) P-C4' energy: -166.905
flat angles C4'-P-C4' energy: -131.112
flat angles P-C4'-P energy: -76.952
tors. eta vs tors. theta energy: -14.004
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: 10, replica: 4
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -804.297300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.297300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.297300 (E_RNA)
where:
Base-Base interactions energy: -351.890
where: short stacking energy: -229.008
Base-Backbone interact. energy: 3.634
local terms energy: -456.041458
where:
bonds (distance) C4'-P energy: -126.638
bonds (distance) P-C4' energy: -158.411
flat angles C4'-P-C4' energy: -109.382
flat angles P-C4'-P energy: -70.010
tors. eta vs tors. theta energy: 8.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -2922.986381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2922.986381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2922.986381 (E_RNA)
where:
Base-Base interactions energy: -1988.878
where: short stacking energy: -822.366
Base-Backbone interact. energy: 1.364
local terms energy: -935.472651
where:
bonds (distance) C4'-P energy: -184.773
bonds (distance) P-C4' energy: -177.491
flat angles C4'-P-C4' energy: -196.484
flat angles P-C4'-P energy: -145.888
tors. eta vs tors. theta energy: -230.837
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: 2, replica: 7
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -2785.431478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2785.431478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2785.431478 (E_RNA)
where:
Base-Base interactions energy: -1899.115
where: short stacking energy: -775.467
Base-Backbone interact. energy: 2.021
local terms energy: -888.337886
where:
bonds (distance) C4'-P energy: -171.811
bonds (distance) P-C4' energy: -176.490
flat angles C4'-P-C4' energy: -189.159
flat angles P-C4'-P energy: -127.859
tors. eta vs tors. theta energy: -223.019
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: 5
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -2670.009604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2670.009604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2670.009604 (E_RNA)
where:
Base-Base interactions energy: -1809.559
where: short stacking energy: -767.712
Base-Backbone interact. energy: -4.215
local terms energy: -856.235144
where:
bonds (distance) C4'-P energy: -157.198
bonds (distance) P-C4' energy: -169.068
flat angles C4'-P-C4' energy: -175.998
flat angles P-C4'-P energy: -121.625
tors. eta vs tors. theta energy: -232.346
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: 1
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -2491.790765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2491.790765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2491.790765 (E_RNA)
where:
Base-Base interactions energy: -1672.495
where: short stacking energy: -683.526
Base-Backbone interact. energy: -1.144
local terms energy: -818.151399
where:
bonds (distance) C4'-P energy: -161.540
bonds (distance) P-C4' energy: -167.424
flat angles C4'-P-C4' energy: -173.963
flat angles P-C4'-P energy: -113.822
tors. eta vs tors. theta energy: -201.403
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: 175
Temperature: 1.100000
Total energy: -2316.798439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.798439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2316.798439 (E_RNA)
where:
Base-Base interactions energy: -1523.611
where: short stacking energy: -639.810
Base-Backbone interact. energy: -1.826
local terms energy: -791.361864
where:
bonds (distance) C4'-P energy: -152.815
bonds (distance) P-C4' energy: -168.183
flat angles C4'-P-C4' energy: -176.885
flat angles P-C4'-P energy: -111.186
tors. eta vs tors. theta energy: -182.293
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: 6
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -2084.286056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.286056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.286056 (E_RNA)
where:
Base-Base interactions energy: -1376.922
where: short stacking energy: -572.568
Base-Backbone interact. energy: 0.743
local terms energy: -708.107733
where:
bonds (distance) C4'-P energy: -153.302
bonds (distance) P-C4' energy: -150.061
flat angles C4'-P-C4' energy: -161.604
flat angles P-C4'-P energy: -99.451
tors. eta vs tors. theta energy: -143.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -1484.488096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.488096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.488096 (E_RNA)
where:
Base-Base interactions energy: -873.097
where: short stacking energy: -420.152
Base-Backbone interact. energy: -3.927
local terms energy: -607.463933
where:
bonds (distance) C4'-P energy: -136.974
bonds (distance) P-C4' energy: -146.576
flat angles C4'-P-C4' energy: -157.541
flat angles P-C4'-P energy: -87.453
tors. eta vs tors. theta energy: -78.920
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: 9
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -1320.887887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.887887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.887887 (E_RNA)
where:
Base-Base interactions energy: -746.107
where: short stacking energy: -380.514
Base-Backbone interact. energy: -1.172
local terms energy: -574.319511
where:
bonds (distance) C4'-P energy: -126.720
bonds (distance) P-C4' energy: -144.620
flat angles C4'-P-C4' energy: -153.336
flat angles P-C4'-P energy: -85.551
tors. eta vs tors. theta energy: -64.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.710 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -1040.096212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.096212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.096212 (E_RNA)
where:
Base-Base interactions energy: -516.024
where: short stacking energy: -272.165
Base-Backbone interact. energy: -0.814
local terms energy: -523.257852
where:
bonds (distance) C4'-P energy: -145.658
bonds (distance) P-C4' energy: -162.186
flat angles C4'-P-C4' energy: -120.075
flat angles P-C4'-P energy: -88.893
tors. eta vs tors. theta energy: -6.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -814.927598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.927598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.927598 (E_RNA)
where:
Base-Base interactions energy: -373.523
where: short stacking energy: -228.115
Base-Backbone interact. energy: 4.960
local terms energy: -447.885694
where:
bonds (distance) C4'-P energy: -122.426
bonds (distance) P-C4' energy: -162.399
flat angles C4'-P-C4' energy: -110.295
flat angles P-C4'-P energy: -64.783
tors. eta vs tors. theta energy: 12.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.522 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -2940.099767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2940.099767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2940.099767 (E_RNA)
where:
Base-Base interactions energy: -2055.220
where: short stacking energy: -834.164
Base-Backbone interact. energy: -0.702
local terms energy: -884.177462
where:
bonds (distance) C4'-P energy: -173.186
bonds (distance) P-C4' energy: -159.434
flat angles C4'-P-C4' energy: -193.365
flat angles P-C4'-P energy: -121.927
tors. eta vs tors. theta energy: -236.265
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: 7
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -2786.118255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2786.118255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2786.118255 (E_RNA)
where:
Base-Base interactions energy: -1892.037
where: short stacking energy: -772.215
Base-Backbone interact. energy: -2.158
local terms energy: -891.922904
where:
bonds (distance) C4'-P energy: -163.764
bonds (distance) P-C4' energy: -158.703
flat angles C4'-P-C4' energy: -194.941
flat angles P-C4'-P energy: -134.417
tors. eta vs tors. theta energy: -240.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -2646.203175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2646.203175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2646.203175 (E_RNA)
where:
Base-Base interactions energy: -1792.629
where: short stacking energy: -771.281
Base-Backbone interact. energy: -4.563
local terms energy: -849.011777
where:
bonds (distance) C4'-P energy: -170.698
bonds (distance) P-C4' energy: -167.400
flat angles C4'-P-C4' energy: -184.485
flat angles P-C4'-P energy: -107.182
tors. eta vs tors. theta energy: -219.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -2406.162652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2406.162652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2406.162652 (E_RNA)
where:
Base-Base interactions energy: -1627.519
where: short stacking energy: -685.564
Base-Backbone interact. energy: -2.470
local terms energy: -776.172951
where:
bonds (distance) C4'-P energy: -148.109
bonds (distance) P-C4' energy: -163.448
flat angles C4'-P-C4' energy: -174.927
flat angles P-C4'-P energy: -100.216
tors. eta vs tors. theta energy: -189.473
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: 10
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -2367.628118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2367.628118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2367.628118 (E_RNA)
where:
Base-Base interactions energy: -1575.807
where: short stacking energy: -696.321
Base-Backbone interact. energy: 0.248
local terms energy: -792.069399
where:
bonds (distance) C4'-P energy: -141.461
bonds (distance) P-C4' energy: -175.782
flat angles C4'-P-C4' energy: -172.060
flat angles P-C4'-P energy: -104.804
tors. eta vs tors. theta energy: -197.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -2113.519583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.519583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.519583 (E_RNA)
where:
Base-Base interactions energy: -1390.473
where: short stacking energy: -606.416
Base-Backbone interact. energy: -0.229
local terms energy: -722.818014
where:
bonds (distance) C4'-P energy: -158.781
bonds (distance) P-C4' energy: -155.728
flat angles C4'-P-C4' energy: -157.334
flat angles P-C4'-P energy: -95.414
tors. eta vs tors. theta energy: -155.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -1491.695947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1491.695947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1491.695947 (E_RNA)
where:
Base-Base interactions energy: -889.887
where: short stacking energy: -423.892
Base-Backbone interact. energy: 5.120
local terms energy: -606.929091
where:
bonds (distance) C4'-P energy: -128.674
bonds (distance) P-C4' energy: -160.570
flat angles C4'-P-C4' energy: -141.084
flat angles P-C4'-P energy: -84.021
tors. eta vs tors. theta energy: -92.580
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: 8, replica: 9
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -1284.981069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.981069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.981069 (E_RNA)
where:
Base-Base interactions energy: -749.866
where: short stacking energy: -386.843
Base-Backbone interact. energy: 0.288
local terms energy: -535.403519
where:
bonds (distance) C4'-P energy: -130.929
bonds (distance) P-C4' energy: -136.650
flat angles C4'-P-C4' energy: -154.995
flat angles P-C4'-P energy: -77.479
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: 9, replica: 2
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -1009.924131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.924131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.924131 (E_RNA)
where:
Base-Base interactions energy: -503.822
where: short stacking energy: -276.087
Base-Backbone interact. energy: 2.294
local terms energy: -508.396728
where:
bonds (distance) C4'-P energy: -148.624
bonds (distance) P-C4' energy: -131.320
flat angles C4'-P-C4' energy: -137.134
flat angles P-C4'-P energy: -71.063
tors. eta vs tors. theta energy: -20.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -861.183900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.183900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.183900 (E_RNA)
where:
Base-Base interactions energy: -373.135
where: short stacking energy: -238.021
Base-Backbone interact. energy: 3.279
local terms energy: -491.327314
where:
bonds (distance) C4'-P energy: -160.771
bonds (distance) P-C4' energy: -148.565
flat angles C4'-P-C4' energy: -133.396
flat angles P-C4'-P energy: -65.378
tors. eta vs tors. theta energy: 16.783
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: 1, replica: 3
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -2947.107004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2947.107004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2947.107004 (E_RNA)
where:
Base-Base interactions energy: -2032.183
where: short stacking energy: -821.159
Base-Backbone interact. energy: -1.130
local terms energy: -913.794175
where:
bonds (distance) C4'-P energy: -181.512
bonds (distance) P-C4' energy: -186.014
flat angles C4'-P-C4' energy: -179.154
flat angles P-C4'-P energy: -129.027
tors. eta vs tors. theta energy: -238.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -2793.572777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2793.572777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2793.572777 (E_RNA)
where:
Base-Base interactions energy: -1869.797
where: short stacking energy: -804.697
Base-Backbone interact. energy: -3.572
local terms energy: -920.203991
where:
bonds (distance) C4'-P energy: -172.795
bonds (distance) P-C4' energy: -183.636
flat angles C4'-P-C4' energy: -202.070
flat angles P-C4'-P energy: -120.379
tors. eta vs tors. theta energy: -241.323
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: 3, replica: 5
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -2593.961317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2593.961317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2593.961317 (E_RNA)
where:
Base-Base interactions energy: -1737.383
where: short stacking energy: -731.520
Base-Backbone interact. energy: -4.089
local terms energy: -852.489136
where:
bonds (distance) C4'-P energy: -167.822
bonds (distance) P-C4' energy: -174.992
flat angles C4'-P-C4' energy: -188.043
flat angles P-C4'-P energy: -104.336
tors. eta vs tors. theta energy: -217.296
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: 1
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -2443.438059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2443.438059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2443.438059 (E_RNA)
where:
Base-Base interactions energy: -1630.386
where: short stacking energy: -677.983
Base-Backbone interact. energy: -4.082
local terms energy: -808.970420
where:
bonds (distance) C4'-P energy: -148.588
bonds (distance) P-C4' energy: -171.294
flat angles C4'-P-C4' energy: -174.426
flat angles P-C4'-P energy: -116.653
tors. eta vs tors. theta energy: -198.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -2349.103155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2349.103155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2349.103155 (E_RNA)
where:
Base-Base interactions energy: -1529.104
where: short stacking energy: -683.680
Base-Backbone interact. energy: -3.640
local terms energy: -816.359289
where:
bonds (distance) C4'-P energy: -169.983
bonds (distance) P-C4' energy: -163.127
flat angles C4'-P-C4' energy: -178.737
flat angles P-C4'-P energy: -101.954
tors. eta vs tors. theta energy: -202.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -1994.534581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1994.534581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.534581 (E_RNA)
where:
Base-Base interactions energy: -1290.865
where: short stacking energy: -579.410
Base-Backbone interact. energy: 0.790
local terms energy: -704.459235
where:
bonds (distance) C4'-P energy: -136.160
bonds (distance) P-C4' energy: -144.899
flat angles C4'-P-C4' energy: -145.358
flat angles P-C4'-P energy: -120.776
tors. eta vs tors. theta energy: -157.267
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: 8
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -1483.792444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.792444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.792444 (E_RNA)
where:
Base-Base interactions energy: -856.412
where: short stacking energy: -438.400
Base-Backbone interact. energy: 0.483
local terms energy: -627.863339
where:
bonds (distance) C4'-P energy: -145.645
bonds (distance) P-C4' energy: -160.594
flat angles C4'-P-C4' energy: -149.311
flat angles P-C4'-P energy: -94.479
tors. eta vs tors. theta energy: -77.835
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: 9
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -1345.099079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.099079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.099079 (E_RNA)
where:
Base-Base interactions energy: -760.257
where: short stacking energy: -385.580
Base-Backbone interact. energy: -2.043
local terms energy: -582.799122
where:
bonds (distance) C4'-P energy: -160.365
bonds (distance) P-C4' energy: -148.578
flat angles C4'-P-C4' energy: -129.898
flat angles P-C4'-P energy: -86.363
tors. eta vs tors. theta energy: -57.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -1071.932587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.932587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.932587 (E_RNA)
where:
Base-Base interactions energy: -575.223
where: short stacking energy: -317.655
Base-Backbone interact. energy: 3.991
local terms energy: -500.700436
where:
bonds (distance) C4'-P energy: -126.274
bonds (distance) P-C4' energy: -127.819
flat angles C4'-P-C4' energy: -135.437
flat angles P-C4'-P energy: -93.878
tors. eta vs tors. theta energy: -17.293
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: 10, replica: 4
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -880.638624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.638624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.638624 (E_RNA)
where:
Base-Base interactions energy: -391.293
where: short stacking energy: -238.581
Base-Backbone interact. energy: 1.680
local terms energy: -491.025475
where:
bonds (distance) C4'-P energy: -151.093
bonds (distance) P-C4' energy: -157.509
flat angles C4'-P-C4' energy: -112.315
flat angles P-C4'-P energy: -79.345
tors. eta vs tors. theta energy: 9.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -2916.142209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2916.142209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2916.142209 (E_RNA)
where:
Base-Base interactions energy: -1990.472
where: short stacking energy: -786.220
Base-Backbone interact. energy: -2.474
local terms energy: -923.196270
where:
bonds (distance) C4'-P energy: -180.715
bonds (distance) P-C4' energy: -188.900
flat angles C4'-P-C4' energy: -202.069
flat angles P-C4'-P energy: -117.899
tors. eta vs tors. theta energy: -233.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -2807.793046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2807.793046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2807.793046 (E_RNA)
where:
Base-Base interactions energy: -1889.497
where: short stacking energy: -774.940
Base-Backbone interact. energy: -0.469
local terms energy: -917.826815
where:
bonds (distance) C4'-P energy: -162.937
bonds (distance) P-C4' energy: -192.819
flat angles C4'-P-C4' energy: -196.325
flat angles P-C4'-P energy: -128.021
tors. eta vs tors. theta energy: -237.724
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: 5
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -2606.578901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2606.578901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2606.578901 (E_RNA)
where:
Base-Base interactions energy: -1739.009
where: short stacking energy: -734.344
Base-Backbone interact. energy: -4.786
local terms energy: -862.784342
where:
bonds (distance) C4'-P energy: -162.986
bonds (distance) P-C4' energy: -162.224
flat angles C4'-P-C4' energy: -195.421
flat angles P-C4'-P energy: -125.640
tors. eta vs tors. theta energy: -216.513
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: 1
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -2477.314928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2477.314928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2477.314928 (E_RNA)
where:
Base-Base interactions energy: -1622.286
where: short stacking energy: -692.110
Base-Backbone interact. energy: 0.688
local terms energy: -855.716953
where:
bonds (distance) C4'-P energy: -171.260
bonds (distance) P-C4' energy: -185.094
flat angles C4'-P-C4' energy: -193.484
flat angles P-C4'-P energy: -107.814
tors. eta vs tors. theta energy: -198.065
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: 10
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -2378.082745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2378.082745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2378.082745 (E_RNA)
where:
Base-Base interactions energy: -1591.988
where: short stacking energy: -698.852
Base-Backbone interact. energy: -3.364
local terms energy: -782.730889
where:
bonds (distance) C4'-P energy: -157.917
bonds (distance) P-C4' energy: -135.436
flat angles C4'-P-C4' energy: -177.384
flat angles P-C4'-P energy: -114.947
tors. eta vs tors. theta energy: -197.047
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: 6
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -2025.799615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.799615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.799615 (E_RNA)
where:
Base-Base interactions energy: -1287.775
where: short stacking energy: -556.961
Base-Backbone interact. energy: 0.297
local terms energy: -738.321484
where:
bonds (distance) C4'-P energy: -167.063
bonds (distance) P-C4' energy: -161.491
flat angles C4'-P-C4' energy: -168.447
flat angles P-C4'-P energy: -104.227
tors. eta vs tors. theta energy: -137.093
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: 178
Temperature: 1.200000
Total energy: -1440.564487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.564487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.564487 (E_RNA)
where:
Base-Base interactions energy: -844.255
where: short stacking energy: -439.555
Base-Backbone interact. energy: 6.525
local terms energy: -602.834746
where:
bonds (distance) C4'-P energy: -138.799
bonds (distance) P-C4' energy: -156.229
flat angles C4'-P-C4' energy: -155.366
flat angles P-C4'-P energy: -80.102
tors. eta vs tors. theta energy: -72.339
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: 9
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -1309.889509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.889509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.889509 (E_RNA)
where:
Base-Base interactions energy: -750.033
where: short stacking energy: -364.196
Base-Backbone interact. energy: -2.110
local terms energy: -557.745982
where:
bonds (distance) C4'-P energy: -138.045
bonds (distance) P-C4' energy: -175.418
flat angles C4'-P-C4' energy: -129.383
flat angles P-C4'-P energy: -78.068
tors. eta vs tors. theta energy: -36.833
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: 2
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -945.226313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.226313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.226313 (E_RNA)
where:
Base-Base interactions energy: -463.564
where: short stacking energy: -294.337
Base-Backbone interact. energy: 6.722
local terms energy: -488.383477
where:
bonds (distance) C4'-P energy: -139.286
bonds (distance) P-C4' energy: -150.564
flat angles C4'-P-C4' energy: -119.296
flat angles P-C4'-P energy: -85.914
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: 10, replica: 4
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -786.924681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.924681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.924681 (E_RNA)
where:
Base-Base interactions energy: -335.310
where: short stacking energy: -229.340
Base-Backbone interact. energy: -5.660
local terms energy: -445.954248
where:
bonds (distance) C4'-P energy: -124.171
bonds (distance) P-C4' energy: -119.126
flat angles C4'-P-C4' energy: -140.525
flat angles P-C4'-P energy: -69.015
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: 3
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -2881.874453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2881.874453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2881.874453 (E_RNA)
where:
Base-Base interactions energy: -1971.283
where: short stacking energy: -815.934
Base-Backbone interact. energy: -0.282
local terms energy: -910.309372
where:
bonds (distance) C4'-P energy: -183.434
bonds (distance) P-C4' energy: -177.227
flat angles C4'-P-C4' energy: -195.468
flat angles P-C4'-P energy: -137.202
tors. eta vs tors. theta energy: -216.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -2789.613524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2789.613524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2789.613524 (E_RNA)
where:
Base-Base interactions energy: -1871.850
where: short stacking energy: -812.570
Base-Backbone interact. energy: -3.007
local terms energy: -914.756930
where:
bonds (distance) C4'-P energy: -165.672
bonds (distance) P-C4' energy: -180.120
flat angles C4'-P-C4' energy: -198.842
flat angles P-C4'-P energy: -126.478
tors. eta vs tors. theta energy: -243.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -2602.391847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2602.391847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2602.391847 (E_RNA)
where:
Base-Base interactions energy: -1750.007
where: short stacking energy: -743.473
Base-Backbone interact. energy: -3.042
local terms energy: -849.342968
where:
bonds (distance) C4'-P energy: -168.686
bonds (distance) P-C4' energy: -181.794
flat angles C4'-P-C4' energy: -180.348
flat angles P-C4'-P energy: -109.584
tors. eta vs tors. theta energy: -208.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -2436.254555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2436.254555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2436.254555 (E_RNA)
where:
Base-Base interactions energy: -1610.045
where: short stacking energy: -677.135
Base-Backbone interact. energy: -8.168
local terms energy: -818.041836
where:
bonds (distance) C4'-P energy: -165.733
bonds (distance) P-C4' energy: -163.249
flat angles C4'-P-C4' energy: -184.305
flat angles P-C4'-P energy: -110.632
tors. eta vs tors. theta energy: -194.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -2302.431613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2302.431613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2302.431613 (E_RNA)
where:
Base-Base interactions energy: -1516.547
where: short stacking energy: -644.673
Base-Backbone interact. energy: -2.156
local terms energy: -783.728582
where:
bonds (distance) C4'-P energy: -173.570
bonds (distance) P-C4' energy: -165.624
flat angles C4'-P-C4' energy: -165.435
flat angles P-C4'-P energy: -107.729
tors. eta vs tors. theta energy: -171.371
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: 6
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -1933.045484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.045484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.045484 (E_RNA)
where:
Base-Base interactions energy: -1242.179
where: short stacking energy: -549.546
Base-Backbone interact. energy: 0.234
local terms energy: -691.099924
where:
bonds (distance) C4'-P energy: -151.808
bonds (distance) P-C4' energy: -150.083
flat angles C4'-P-C4' energy: -155.131
flat angles P-C4'-P energy: -105.713
tors. eta vs tors. theta energy: -128.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -1493.290156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.290156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1493.290156 (E_RNA)
where:
Base-Base interactions energy: -861.520
where: short stacking energy: -416.933
Base-Backbone interact. energy: 1.695
local terms energy: -633.465284
where:
bonds (distance) C4'-P energy: -150.212
bonds (distance) P-C4' energy: -156.501
flat angles C4'-P-C4' energy: -151.539
flat angles P-C4'-P energy: -108.673
tors. eta vs tors. theta energy: -66.541
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: 8, replica: 9
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -1348.235306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.235306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.235306 (E_RNA)
where:
Base-Base interactions energy: -760.208
where: short stacking energy: -389.689
Base-Backbone interact. energy: 9.596
local terms energy: -597.623510
where:
bonds (distance) C4'-P energy: -142.364
bonds (distance) P-C4' energy: -159.671
flat angles C4'-P-C4' energy: -144.921
flat angles P-C4'-P energy: -89.479
tors. eta vs tors. theta energy: -61.188
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: 9, replica: 2
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -953.008503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.008503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.008503 (E_RNA)
where:
Base-Base interactions energy: -455.601
where: short stacking energy: -258.885
Base-Backbone interact. energy: -1.558
local terms energy: -495.849181
where:
bonds (distance) C4'-P energy: -145.140
bonds (distance) P-C4' energy: -149.149
flat angles C4'-P-C4' energy: -133.413
flat angles P-C4'-P energy: -84.356
tors. eta vs tors. theta energy: 16.209
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: 10, replica: 4
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -811.703300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.703300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.703300 (E_RNA)
where:
Base-Base interactions energy: -360.000
where: short stacking energy: -235.703
Base-Backbone interact. energy: 0.796
local terms energy: -452.499269
where:
bonds (distance) C4'-P energy: -130.510
bonds (distance) P-C4' energy: -140.271
flat angles C4'-P-C4' energy: -118.925
flat angles P-C4'-P energy: -78.650
tors. eta vs tors. theta energy: 15.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -2926.084831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2926.084831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2926.084831 (E_RNA)
where:
Base-Base interactions energy: -2055.217
where: short stacking energy: -826.814
Base-Backbone interact. energy: -2.651
local terms energy: -868.217674
where:
bonds (distance) C4'-P energy: -159.902
bonds (distance) P-C4' energy: -182.372
flat angles C4'-P-C4' energy: -202.928
flat angles P-C4'-P energy: -102.128
tors. eta vs tors. theta energy: -220.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -2817.478058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2817.478058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2817.478058 (E_RNA)
where:
Base-Base interactions energy: -1923.454
where: short stacking energy: -814.815
Base-Backbone interact. energy: -4.800
local terms energy: -889.223767
where:
bonds (distance) C4'-P energy: -161.934
bonds (distance) P-C4' energy: -162.441
flat angles C4'-P-C4' energy: -196.899
flat angles P-C4'-P energy: -131.783
tors. eta vs tors. theta energy: -236.168
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: 5
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -2613.797239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2613.797239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2613.797239 (E_RNA)
where:
Base-Base interactions energy: -1754.937
where: short stacking energy: -727.443
Base-Backbone interact. energy: -6.854
local terms energy: -852.005349
where:
bonds (distance) C4'-P energy: -163.788
bonds (distance) P-C4' energy: -176.706
flat angles C4'-P-C4' energy: -177.257
flat angles P-C4'-P energy: -124.217
tors. eta vs tors. theta energy: -210.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -2478.376590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2478.376590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2478.376590 (E_RNA)
where:
Base-Base interactions energy: -1645.828
where: short stacking energy: -684.868
Base-Backbone interact. energy: -6.747
local terms energy: -825.801175
where:
bonds (distance) C4'-P energy: -156.168
bonds (distance) P-C4' energy: -169.960
flat angles C4'-P-C4' energy: -186.472
flat angles P-C4'-P energy: -111.781
tors. eta vs tors. theta energy: -201.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -2305.217808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2305.217808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2305.217808 (E_RNA)
where:
Base-Base interactions energy: -1515.309
where: short stacking energy: -653.244
Base-Backbone interact. energy: 2.215
local terms energy: -792.124442
where:
bonds (distance) C4'-P energy: -164.533
bonds (distance) P-C4' energy: -155.932
flat angles C4'-P-C4' energy: -177.242
flat angles P-C4'-P energy: -114.991
tors. eta vs tors. theta energy: -179.426
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: 6
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -1993.433097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.433097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1993.433097 (E_RNA)
where:
Base-Base interactions energy: -1271.516
where: short stacking energy: -559.028
Base-Backbone interact. energy: -3.230
local terms energy: -718.686731
where:
bonds (distance) C4'-P energy: -140.913
bonds (distance) P-C4' energy: -180.759
flat angles C4'-P-C4' energy: -166.222
flat angles P-C4'-P energy: -91.631
tors. eta vs tors. theta energy: -139.161
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: 9
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -1456.045358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.045358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.045358 (E_RNA)
where:
Base-Base interactions energy: -815.724
where: short stacking energy: -397.792
Base-Backbone interact. energy: 4.878
local terms energy: -645.198643
where:
bonds (distance) C4'-P energy: -168.811
bonds (distance) P-C4' energy: -162.033
flat angles C4'-P-C4' energy: -153.488
flat angles P-C4'-P energy: -95.697
tors. eta vs tors. theta energy: -65.170
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: 8
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -1360.764451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.764451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.764451 (E_RNA)
where:
Base-Base interactions energy: -768.653
where: short stacking energy: -381.620
Base-Backbone interact. energy: 1.786
local terms energy: -593.897503
where:
bonds (distance) C4'-P energy: -159.834
bonds (distance) P-C4' energy: -149.723
flat angles C4'-P-C4' energy: -136.643
flat angles P-C4'-P energy: -85.957
tors. eta vs tors. theta energy: -61.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -953.132818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.132818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.132818 (E_RNA)
where:
Base-Base interactions energy: -459.273
where: short stacking energy: -278.330
Base-Backbone interact. energy: 2.446
local terms energy: -496.305727
where:
bonds (distance) C4'-P energy: -138.608
bonds (distance) P-C4' energy: -138.671
flat angles C4'-P-C4' energy: -122.698
flat angles P-C4'-P energy: -83.505
tors. eta vs tors. theta energy: -12.824
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: 10, replica: 4
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -807.567256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.567256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.567256 (E_RNA)
where:
Base-Base interactions energy: -373.330
where: short stacking energy: -202.677
Base-Backbone interact. energy: 1.724
local terms energy: -435.961111
where:
bonds (distance) C4'-P energy: -123.513
bonds (distance) P-C4' energy: -130.971
flat angles C4'-P-C4' energy: -117.924
flat angles P-C4'-P energy: -86.714
tors. eta vs tors. theta energy: 23.161
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: 3
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -2917.769447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2917.769447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2917.769447 (E_RNA)
where:
Base-Base interactions energy: -2018.361
where: short stacking energy: -819.607
Base-Backbone interact. energy: 3.276
local terms energy: -902.684632
where:
bonds (distance) C4'-P energy: -188.866
bonds (distance) P-C4' energy: -177.939
flat angles C4'-P-C4' energy: -186.660
flat angles P-C4'-P energy: -116.016
tors. eta vs tors. theta energy: -233.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -2815.450124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2815.450124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2815.450124 (E_RNA)
where:
Base-Base interactions energy: -1898.472
where: short stacking energy: -808.876
Base-Backbone interact. energy: -4.613
local terms energy: -912.365641
where:
bonds (distance) C4'-P energy: -161.131
bonds (distance) P-C4' energy: -177.833
flat angles C4'-P-C4' energy: -194.484
flat angles P-C4'-P energy: -128.303
tors. eta vs tors. theta energy: -250.614
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: 3, replica: 5
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -2588.223203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2588.223203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2588.223203 (E_RNA)
where:
Base-Base interactions energy: -1755.353
where: short stacking energy: -783.578
Base-Backbone interact. energy: 1.458
local terms energy: -834.328588
where:
bonds (distance) C4'-P energy: -147.960
bonds (distance) P-C4' energy: -150.938
flat angles C4'-P-C4' energy: -187.082
flat angles P-C4'-P energy: -125.018
tors. eta vs tors. theta energy: -223.331
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: 1
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -2514.821879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2514.821879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2514.821879 (E_RNA)
where:
Base-Base interactions energy: -1703.631
where: short stacking energy: -744.700
Base-Backbone interact. energy: -2.454
local terms energy: -808.736943
where:
bonds (distance) C4'-P energy: -158.171
bonds (distance) P-C4' energy: -156.920
flat angles C4'-P-C4' energy: -172.672
flat angles P-C4'-P energy: -115.909
tors. eta vs tors. theta energy: -205.064
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: 10
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -2318.588503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2318.588503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2318.588503 (E_RNA)
where:
Base-Base interactions energy: -1511.060
where: short stacking energy: -668.391
Base-Backbone interact. energy: -5.649
local terms energy: -801.879524
where:
bonds (distance) C4'-P energy: -167.797
bonds (distance) P-C4' energy: -180.787
flat angles C4'-P-C4' energy: -162.186
flat angles P-C4'-P energy: -109.702
tors. eta vs tors. theta energy: -181.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -2006.918458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.918458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.918458 (E_RNA)
where:
Base-Base interactions energy: -1237.017
where: short stacking energy: -582.272
Base-Backbone interact. energy: 0.421
local terms energy: -770.322340
where:
bonds (distance) C4'-P energy: -154.785
bonds (distance) P-C4' energy: -177.689
flat angles C4'-P-C4' energy: -172.253
flat angles P-C4'-P energy: -115.401
tors. eta vs tors. theta energy: -150.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -1359.334968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.334968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.334968 (E_RNA)
where:
Base-Base interactions energy: -799.333
where: short stacking energy: -395.273
Base-Backbone interact. energy: -0.795
local terms energy: -559.207911
where:
bonds (distance) C4'-P energy: -147.179
bonds (distance) P-C4' energy: -149.177
flat angles C4'-P-C4' energy: -137.613
flat angles P-C4'-P energy: -85.489
tors. eta vs tors. theta energy: -39.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -1310.735425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.735425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.735425 (E_RNA)
where:
Base-Base interactions energy: -757.105
where: short stacking energy: -382.792
Base-Backbone interact. energy: -4.808
local terms energy: -548.821930
where:
bonds (distance) C4'-P energy: -141.395
bonds (distance) P-C4' energy: -162.378
flat angles C4'-P-C4' energy: -160.548
flat angles P-C4'-P energy: -60.273
tors. eta vs tors. theta energy: -24.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -918.498716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.498716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.498716 (E_RNA)
where:
Base-Base interactions energy: -411.724
where: short stacking energy: -256.395
Base-Backbone interact. energy: -2.098
local terms energy: -505.917587
where:
bonds (distance) C4'-P energy: -125.254
bonds (distance) P-C4' energy: -163.513
flat angles C4'-P-C4' energy: -138.381
flat angles P-C4'-P energy: -64.140
tors. eta vs tors. theta energy: -14.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.240 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -823.054198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.054198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.054198 (E_RNA)
where:
Base-Base interactions energy: -389.138
where: short stacking energy: -220.968
Base-Backbone interact. energy: 4.109
local terms energy: -438.025531
where:
bonds (distance) C4'-P energy: -134.500
bonds (distance) P-C4' energy: -134.115
flat angles C4'-P-C4' energy: -120.595
flat angles P-C4'-P energy: -65.139
tors. eta vs tors. theta energy: 16.323
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: 3
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -2943.623918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2943.623918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2943.623918 (E_RNA)
where:
Base-Base interactions energy: -2048.478
where: short stacking energy: -824.037
Base-Backbone interact. energy: -5.318
local terms energy: -889.827787
where:
bonds (distance) C4'-P energy: -170.924
bonds (distance) P-C4' energy: -169.920
flat angles C4'-P-C4' energy: -193.897
flat angles P-C4'-P energy: -117.096
tors. eta vs tors. theta energy: -237.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -2836.168797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2836.168797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2836.168797 (E_RNA)
where:
Base-Base interactions energy: -1923.774
where: short stacking energy: -834.016
Base-Backbone interact. energy: -1.294
local terms energy: -911.100326
where:
bonds (distance) C4'-P energy: -164.382
bonds (distance) P-C4' energy: -177.893
flat angles C4'-P-C4' energy: -187.298
flat angles P-C4'-P energy: -133.576
tors. eta vs tors. theta energy: -247.951
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: 5
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -2537.795951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2537.795951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2537.795951 (E_RNA)
where:
Base-Base interactions energy: -1677.373
where: short stacking energy: -712.023
Base-Backbone interact. energy: -5.244
local terms energy: -855.179183
where:
bonds (distance) C4'-P energy: -161.546
bonds (distance) P-C4' energy: -179.380
flat angles C4'-P-C4' energy: -198.755
flat angles P-C4'-P energy: -105.316
tors. eta vs tors. theta energy: -210.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -2517.863607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2517.863607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2517.863607 (E_RNA)
where:
Base-Base interactions energy: -1677.268
where: short stacking energy: -704.525
Base-Backbone interact. energy: -0.531
local terms energy: -840.064163
where:
bonds (distance) C4'-P energy: -176.601
bonds (distance) P-C4' energy: -171.107
flat angles C4'-P-C4' energy: -176.682
flat angles P-C4'-P energy: -100.511
tors. eta vs tors. theta energy: -215.164
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: 5, replica: 10
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -2364.920882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2364.920882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2364.920882 (E_RNA)
where:
Base-Base interactions energy: -1588.418
where: short stacking energy: -663.767
Base-Backbone interact. energy: -0.444
local terms energy: -776.058292
where:
bonds (distance) C4'-P energy: -158.221
bonds (distance) P-C4' energy: -158.001
flat angles C4'-P-C4' energy: -161.058
flat angles P-C4'-P energy: -115.851
tors. eta vs tors. theta energy: -182.928
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: 6
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -1959.500615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.500615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.500615 (E_RNA)
where:
Base-Base interactions energy: -1244.446
where: short stacking energy: -526.060
Base-Backbone interact. energy: -2.448
local terms energy: -712.606786
where:
bonds (distance) C4'-P energy: -162.990
bonds (distance) P-C4' energy: -162.976
flat angles C4'-P-C4' energy: -149.006
flat angles P-C4'-P energy: -101.255
tors. eta vs tors. theta energy: -136.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -1387.958191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.958191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.958191 (E_RNA)
where:
Base-Base interactions energy: -789.297
where: short stacking energy: -403.790
Base-Backbone interact. energy: -3.505
local terms energy: -595.156848
where:
bonds (distance) C4'-P energy: -141.473
bonds (distance) P-C4' energy: -169.714
flat angles C4'-P-C4' energy: -147.178
flat angles P-C4'-P energy: -92.670
tors. eta vs tors. theta energy: -44.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -1284.129297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.129297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.129297 (E_RNA)
where:
Base-Base interactions energy: -722.363
where: short stacking energy: -353.966
Base-Backbone interact. energy: -1.677
local terms energy: -560.089247
where:
bonds (distance) C4'-P energy: -150.552
bonds (distance) P-C4' energy: -140.058
flat angles C4'-P-C4' energy: -145.148
flat angles P-C4'-P energy: -65.716
tors. eta vs tors. theta energy: -58.615
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: 9, replica: 2
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -904.829863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.829863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.829863 (E_RNA)
where:
Base-Base interactions energy: -416.258
where: short stacking energy: -249.459
Base-Backbone interact. energy: -0.328
local terms energy: -488.244432
where:
bonds (distance) C4'-P energy: -144.251
bonds (distance) P-C4' energy: -164.188
flat angles C4'-P-C4' energy: -133.576
flat angles P-C4'-P energy: -60.276
tors. eta vs tors. theta energy: 14.046
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: 4
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -749.422708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.422708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.422708 (E_RNA)
where:
Base-Base interactions energy: -291.342
where: short stacking energy: -190.949
Base-Backbone interact. energy: -2.239
local terms energy: -455.841980
where:
bonds (distance) C4'-P energy: -139.407
bonds (distance) P-C4' energy: -160.633
flat angles C4'-P-C4' energy: -124.777
flat angles P-C4'-P energy: -60.834
tors. eta vs tors. theta energy: 29.809
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: 1, replica: 3
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -2923.671739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2923.671739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2923.671739 (E_RNA)
where:
Base-Base interactions energy: -2017.015
where: short stacking energy: -848.036
Base-Backbone interact. energy: -3.055
local terms energy: -903.601997
where:
bonds (distance) C4'-P energy: -181.049
bonds (distance) P-C4' energy: -188.136
flat angles C4'-P-C4' energy: -180.264
flat angles P-C4'-P energy: -118.858
tors. eta vs tors. theta energy: -235.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -2819.708793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2819.708793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2819.708793 (E_RNA)
where:
Base-Base interactions energy: -1887.857
where: short stacking energy: -802.937
Base-Backbone interact. energy: 0.245
local terms energy: -932.096893
where:
bonds (distance) C4'-P energy: -163.989
bonds (distance) P-C4' energy: -179.142
flat angles C4'-P-C4' energy: -211.692
flat angles P-C4'-P energy: -129.389
tors. eta vs tors. theta energy: -247.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -2577.864707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2577.864707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2577.864707 (E_RNA)
where:
Base-Base interactions energy: -1730.354
where: short stacking energy: -722.729
Base-Backbone interact. energy: -3.311
local terms energy: -844.199850
where:
bonds (distance) C4'-P energy: -162.547
bonds (distance) P-C4' energy: -158.563
flat angles C4'-P-C4' energy: -199.063
flat angles P-C4'-P energy: -119.045
tors. eta vs tors. theta energy: -204.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -2490.282494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2490.282494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2490.282494 (E_RNA)
where:
Base-Base interactions energy: -1663.773
where: short stacking energy: -680.891
Base-Backbone interact. energy: -6.443
local terms energy: -820.066977
where:
bonds (distance) C4'-P energy: -158.489
bonds (distance) P-C4' energy: -169.363
flat angles C4'-P-C4' energy: -180.807
flat angles P-C4'-P energy: -112.835
tors. eta vs tors. theta energy: -198.572
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: 10
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -2347.802612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2347.802612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.802612 (E_RNA)
where:
Base-Base interactions energy: -1585.350
where: short stacking energy: -665.359
Base-Backbone interact. energy: -5.115
local terms energy: -757.337485
where:
bonds (distance) C4'-P energy: -143.235
bonds (distance) P-C4' energy: -140.607
flat angles C4'-P-C4' energy: -174.718
flat angles P-C4'-P energy: -111.909
tors. eta vs tors. theta energy: -186.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -1981.655372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.655372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.655372 (E_RNA)
where:
Base-Base interactions energy: -1283.640
where: short stacking energy: -544.334
Base-Backbone interact. energy: -1.225
local terms energy: -696.790181
where:
bonds (distance) C4'-P energy: -162.557
bonds (distance) P-C4' energy: -184.046
flat angles C4'-P-C4' energy: -161.840
flat angles P-C4'-P energy: -84.955
tors. eta vs tors. theta energy: -103.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -1411.157898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.157898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.157898 (E_RNA)
where:
Base-Base interactions energy: -819.220
where: short stacking energy: -434.943
Base-Backbone interact. energy: -2.085
local terms energy: -589.853332
where:
bonds (distance) C4'-P energy: -140.430
bonds (distance) P-C4' energy: -139.652
flat angles C4'-P-C4' energy: -157.357
flat angles P-C4'-P energy: -80.158
tors. eta vs tors. theta energy: -72.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -1277.470709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.470709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.470709 (E_RNA)
where:
Base-Base interactions energy: -698.749
where: short stacking energy: -355.506
Base-Backbone interact. energy: 2.066
local terms energy: -580.787936
where:
bonds (distance) C4'-P energy: -131.556
bonds (distance) P-C4' energy: -151.311
flat angles C4'-P-C4' energy: -141.224
flat angles P-C4'-P energy: -98.292
tors. eta vs tors. theta energy: -58.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -971.347845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.347845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.347845 (E_RNA)
where:
Base-Base interactions energy: -476.697
where: short stacking energy: -284.547
Base-Backbone interact. energy: 2.097
local terms energy: -496.747933
where:
bonds (distance) C4'-P energy: -157.339
bonds (distance) P-C4' energy: -138.978
flat angles C4'-P-C4' energy: -125.376
flat angles P-C4'-P energy: -62.411
tors. eta vs tors. theta energy: -12.644
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: 4
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -781.804889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.804889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.804889 (E_RNA)
where:
Base-Base interactions energy: -310.280
where: short stacking energy: -203.497
Base-Backbone interact. energy: 2.187
local terms energy: -473.711983
where:
bonds (distance) C4'-P energy: -144.828
bonds (distance) P-C4' energy: -139.744
flat angles C4'-P-C4' energy: -148.898
flat angles P-C4'-P energy: -70.785
tors. eta vs tors. theta energy: 30.543
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: 1, replica: 3
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -2924.035585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2924.035585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2924.035585 (E_RNA)
where:
Base-Base interactions energy: -1975.696
where: short stacking energy: -850.464
Base-Backbone interact. energy: -4.065
local terms energy: -944.274477
where:
bonds (distance) C4'-P energy: -180.220
bonds (distance) P-C4' energy: -192.475
flat angles C4'-P-C4' energy: -184.334
flat angles P-C4'-P energy: -144.342
tors. eta vs tors. theta energy: -242.904
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: 184
Temperature: 0.950000
Total energy: -2828.411570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2828.411570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2828.411570 (E_RNA)
where:
Base-Base interactions energy: -1908.528
where: short stacking energy: -802.918
Base-Backbone interact. energy: -2.304
local terms energy: -917.579312
where:
bonds (distance) C4'-P energy: -177.003
bonds (distance) P-C4' energy: -170.776
flat angles C4'-P-C4' energy: -202.868
flat angles P-C4'-P energy: -119.383
tors. eta vs tors. theta energy: -247.550
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: 3, replica: 5
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -2585.736054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2585.736054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2585.736054 (E_RNA)
where:
Base-Base interactions energy: -1733.823
where: short stacking energy: -728.254
Base-Backbone interact. energy: 1.099
local terms energy: -853.011692
where:
bonds (distance) C4'-P energy: -161.875
bonds (distance) P-C4' energy: -175.859
flat angles C4'-P-C4' energy: -185.785
flat angles P-C4'-P energy: -123.840
tors. eta vs tors. theta energy: -205.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -2490.236335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2490.236335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2490.236335 (E_RNA)
where:
Base-Base interactions energy: -1679.788
where: short stacking energy: -699.499
Base-Backbone interact. energy: -3.005
local terms energy: -807.443741
where:
bonds (distance) C4'-P energy: -171.006
bonds (distance) P-C4' energy: -177.648
flat angles C4'-P-C4' energy: -166.899
flat angles P-C4'-P energy: -103.832
tors. eta vs tors. theta energy: -188.059
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: 5, replica: 10
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -2395.710573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2395.710573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2395.710573 (E_RNA)
where:
Base-Base interactions energy: -1584.364
where: short stacking energy: -669.550
Base-Backbone interact. energy: 3.822
local terms energy: -815.168643
where:
bonds (distance) C4'-P energy: -168.881
bonds (distance) P-C4' energy: -170.077
flat angles C4'-P-C4' energy: -170.185
flat angles P-C4'-P energy: -118.817
tors. eta vs tors. theta energy: -187.208
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: 6
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -2037.767893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.767893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.767893 (E_RNA)
where:
Base-Base interactions energy: -1310.182
where: short stacking energy: -613.882
Base-Backbone interact. energy: -2.887
local terms energy: -724.698142
where:
bonds (distance) C4'-P energy: -153.144
bonds (distance) P-C4' energy: -142.395
flat angles C4'-P-C4' energy: -166.316
flat angles P-C4'-P energy: -102.766
tors. eta vs tors. theta energy: -160.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -1472.944160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.944160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.944160 (E_RNA)
where:
Base-Base interactions energy: -839.830
where: short stacking energy: -445.661
Base-Backbone interact. energy: 2.464
local terms energy: -635.577860
where:
bonds (distance) C4'-P energy: -158.793
bonds (distance) P-C4' energy: -162.473
flat angles C4'-P-C4' energy: -154.604
flat angles P-C4'-P energy: -88.316
tors. eta vs tors. theta energy: -71.392
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: 8
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -1304.628636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.628636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.628636 (E_RNA)
where:
Base-Base interactions energy: -726.982
where: short stacking energy: -366.669
Base-Backbone interact. energy: 1.346
local terms energy: -578.992008
where:
bonds (distance) C4'-P energy: -125.810
bonds (distance) P-C4' energy: -157.104
flat angles C4'-P-C4' energy: -156.405
flat angles P-C4'-P energy: -86.405
tors. eta vs tors. theta energy: -53.268
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: 2
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -1003.477681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.477681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.477681 (E_RNA)
where:
Base-Base interactions energy: -496.419
where: short stacking energy: -280.233
Base-Backbone interact. energy: -2.753
local terms energy: -504.305406
where:
bonds (distance) C4'-P energy: -138.429
bonds (distance) P-C4' energy: -153.840
flat angles C4'-P-C4' energy: -136.750
flat angles P-C4'-P energy: -69.362
tors. eta vs tors. theta energy: -5.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -769.319141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.319141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.319141 (E_RNA)
where:
Base-Base interactions energy: -292.818
where: short stacking energy: -191.477
Base-Backbone interact. energy: 7.593
local terms energy: -484.094135
where:
bonds (distance) C4'-P energy: -134.563
bonds (distance) P-C4' energy: -152.703
flat angles C4'-P-C4' energy: -141.223
flat angles P-C4'-P energy: -62.192
tors. eta vs tors. theta energy: 6.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -2905.477210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2905.477210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2905.477210 (E_RNA)
where:
Base-Base interactions energy: -1983.664
where: short stacking energy: -815.325
Base-Backbone interact. energy: -0.826
local terms energy: -920.987313
where:
bonds (distance) C4'-P energy: -174.010
bonds (distance) P-C4' energy: -190.126
flat angles C4'-P-C4' energy: -201.559
flat angles P-C4'-P energy: -122.895
tors. eta vs tors. theta energy: -232.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -2839.935508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2839.935508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2839.935508 (E_RNA)
where:
Base-Base interactions energy: -1921.728
where: short stacking energy: -813.565
Base-Backbone interact. energy: -2.913
local terms energy: -915.294541
where:
bonds (distance) C4'-P energy: -155.790
bonds (distance) P-C4' energy: -174.069
flat angles C4'-P-C4' energy: -197.164
flat angles P-C4'-P energy: -139.082
tors. eta vs tors. theta energy: -249.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -2567.777461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2567.777461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2567.777461 (E_RNA)
where:
Base-Base interactions energy: -1705.807
where: short stacking energy: -724.491
Base-Backbone interact. energy: -1.030
local terms energy: -860.940064
where:
bonds (distance) C4'-P energy: -159.995
bonds (distance) P-C4' energy: -187.126
flat angles C4'-P-C4' energy: -186.720
flat angles P-C4'-P energy: -127.804
tors. eta vs tors. theta energy: -199.296
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: 1
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -2539.497424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2539.497424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2539.497424 (E_RNA)
where:
Base-Base interactions energy: -1705.326
where: short stacking energy: -698.849
Base-Backbone interact. energy: -1.282
local terms energy: -832.888941
where:
bonds (distance) C4'-P energy: -164.662
bonds (distance) P-C4' energy: -167.575
flat angles C4'-P-C4' energy: -169.838
flat angles P-C4'-P energy: -122.518
tors. eta vs tors. theta energy: -208.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -2380.113077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.113077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2380.113077 (E_RNA)
where:
Base-Base interactions energy: -1577.484
where: short stacking energy: -709.641
Base-Backbone interact. energy: -3.470
local terms energy: -799.159070
where:
bonds (distance) C4'-P energy: -153.959
bonds (distance) P-C4' energy: -148.193
flat angles C4'-P-C4' energy: -180.235
flat angles P-C4'-P energy: -100.238
tors. eta vs tors. theta energy: -216.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -2080.921843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.921843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2080.921843 (E_RNA)
where:
Base-Base interactions energy: -1347.695
where: short stacking energy: -630.975
Base-Backbone interact. energy: -1.490
local terms energy: -731.736514
where:
bonds (distance) C4'-P energy: -128.970
bonds (distance) P-C4' energy: -165.450
flat angles C4'-P-C4' energy: -170.338
flat angles P-C4'-P energy: -100.424
tors. eta vs tors. theta energy: -166.555
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: 9
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -1579.515276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.515276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.515276 (E_RNA)
where:
Base-Base interactions energy: -922.208
where: short stacking energy: -473.533
Base-Backbone interact. energy: 0.659
local terms energy: -657.966452
where:
bonds (distance) C4'-P energy: -148.236
bonds (distance) P-C4' energy: -176.935
flat angles C4'-P-C4' energy: -145.637
flat angles P-C4'-P energy: -84.127
tors. eta vs tors. theta energy: -103.031
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: 8
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -1291.389528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.389528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.389528 (E_RNA)
where:
Base-Base interactions energy: -766.351
where: short stacking energy: -344.149
Base-Backbone interact. energy: -0.431
local terms energy: -524.607074
where:
bonds (distance) C4'-P energy: -120.559
bonds (distance) P-C4' energy: -153.846
flat angles C4'-P-C4' energy: -147.102
flat angles P-C4'-P energy: -79.846
tors. eta vs tors. theta energy: -23.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -979.984606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.984606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.984606 (E_RNA)
where:
Base-Base interactions energy: -497.558
where: short stacking energy: -273.491
Base-Backbone interact. energy: 2.019
local terms energy: -484.445886
where:
bonds (distance) C4'-P energy: -140.907
bonds (distance) P-C4' energy: -151.691
flat angles C4'-P-C4' energy: -121.506
flat angles P-C4'-P energy: -78.531
tors. eta vs tors. theta energy: 8.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -777.884736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.884736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.884736 (E_RNA)
where:
Base-Base interactions energy: -333.509
where: short stacking energy: -240.067
Base-Backbone interact. energy: -2.542
local terms energy: -441.833177
where:
bonds (distance) C4'-P energy: -143.318
bonds (distance) P-C4' energy: -135.823
flat angles C4'-P-C4' energy: -114.635
flat angles P-C4'-P energy: -68.293
tors. eta vs tors. theta energy: 20.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -2938.037343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2938.037343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2938.037343 (E_RNA)
where:
Base-Base interactions energy: -2005.615
where: short stacking energy: -826.320
Base-Backbone interact. energy: -2.959
local terms energy: -929.462917
where:
bonds (distance) C4'-P energy: -178.545
bonds (distance) P-C4' energy: -198.472
flat angles C4'-P-C4' energy: -205.797
flat angles P-C4'-P energy: -114.064
tors. eta vs tors. theta energy: -232.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -2860.865709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2860.865709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2860.865709 (E_RNA)
where:
Base-Base interactions energy: -1929.549
where: short stacking energy: -788.343
Base-Backbone interact. energy: -3.592
local terms energy: -927.724341
where:
bonds (distance) C4'-P energy: -170.711
bonds (distance) P-C4' energy: -177.166
flat angles C4'-P-C4' energy: -195.449
flat angles P-C4'-P energy: -150.005
tors. eta vs tors. theta energy: -234.394
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: 5
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -2590.174331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2590.174331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2590.174331 (E_RNA)
where:
Base-Base interactions energy: -1750.146
where: short stacking energy: -733.726
Base-Backbone interact. energy: -2.034
local terms energy: -837.993978
where:
bonds (distance) C4'-P energy: -153.394
bonds (distance) P-C4' energy: -179.426
flat angles C4'-P-C4' energy: -190.957
flat angles P-C4'-P energy: -96.623
tors. eta vs tors. theta energy: -217.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -2455.056386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2455.056386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2455.056386 (E_RNA)
where:
Base-Base interactions energy: -1669.518
where: short stacking energy: -693.751
Base-Backbone interact. energy: -6.671
local terms energy: -778.866759
where:
bonds (distance) C4'-P energy: -158.446
bonds (distance) P-C4' energy: -143.403
flat angles C4'-P-C4' energy: -170.708
flat angles P-C4'-P energy: -119.328
tors. eta vs tors. theta energy: -186.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -2372.069402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.069402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2372.069402 (E_RNA)
where:
Base-Base interactions energy: -1580.952
where: short stacking energy: -695.848
Base-Backbone interact. energy: -4.410
local terms energy: -786.707256
where:
bonds (distance) C4'-P energy: -154.148
bonds (distance) P-C4' energy: -144.417
flat angles C4'-P-C4' energy: -178.510
flat angles P-C4'-P energy: -112.052
tors. eta vs tors. theta energy: -197.580
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: 6, replica: 6
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -2101.989049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.989049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.989049 (E_RNA)
where:
Base-Base interactions energy: -1328.502
where: short stacking energy: -607.524
Base-Backbone interact. energy: -0.406
local terms energy: -773.081085
where:
bonds (distance) C4'-P energy: -145.872
bonds (distance) P-C4' energy: -158.234
flat angles C4'-P-C4' energy: -170.766
flat angles P-C4'-P energy: -128.542
tors. eta vs tors. theta energy: -169.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -1493.270565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.270565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1493.270565 (E_RNA)
where:
Base-Base interactions energy: -883.709
where: short stacking energy: -430.869
Base-Backbone interact. energy: 1.727
local terms energy: -611.288720
where:
bonds (distance) C4'-P energy: -156.144
bonds (distance) P-C4' energy: -158.960
flat angles C4'-P-C4' energy: -123.500
flat angles P-C4'-P energy: -86.204
tors. eta vs tors. theta energy: -86.481
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: 8
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -1301.765781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.765781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.765781 (E_RNA)
where:
Base-Base interactions energy: -725.054
where: short stacking energy: -377.296
Base-Backbone interact. energy: -2.157
local terms energy: -574.554672
where:
bonds (distance) C4'-P energy: -148.014
bonds (distance) P-C4' energy: -154.977
flat angles C4'-P-C4' energy: -129.521
flat angles P-C4'-P energy: -86.156
tors. eta vs tors. theta energy: -55.887
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: 186
Temperature: 1.300000
Total energy: -936.628818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.628818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.628818 (E_RNA)
where:
Base-Base interactions energy: -449.670
where: short stacking energy: -270.815
Base-Backbone interact. energy: -0.251
local terms energy: -486.707019
where:
bonds (distance) C4'-P energy: -124.206
bonds (distance) P-C4' energy: -146.810
flat angles C4'-P-C4' energy: -137.513
flat angles P-C4'-P energy: -79.356
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: 10, replica: 4
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -737.881281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.881281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.881281 (E_RNA)
where:
Base-Base interactions energy: -330.292
where: short stacking energy: -221.822
Base-Backbone interact. energy: 2.534
local terms energy: -410.123416
where:
bonds (distance) C4'-P energy: -133.007
bonds (distance) P-C4' energy: -127.021
flat angles C4'-P-C4' energy: -132.408
flat angles P-C4'-P energy: -48.391
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: 1, replica: 3
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -2926.541193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2926.541193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2926.541193 (E_RNA)
where:
Base-Base interactions energy: -2018.498
where: short stacking energy: -850.017
Base-Backbone interact. energy: 2.781
local terms energy: -910.823984
where:
bonds (distance) C4'-P energy: -177.555
bonds (distance) P-C4' energy: -189.969
flat angles C4'-P-C4' energy: -187.942
flat angles P-C4'-P energy: -123.790
tors. eta vs tors. theta energy: -231.568
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: 2, replica: 7
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -2854.801623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2854.801623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2854.801623 (E_RNA)
where:
Base-Base interactions energy: -1965.593
where: short stacking energy: -836.628
Base-Backbone interact. energy: -1.804
local terms energy: -887.405357
where:
bonds (distance) C4'-P energy: -163.834
bonds (distance) P-C4' energy: -168.319
flat angles C4'-P-C4' energy: -189.173
flat angles P-C4'-P energy: -124.559
tors. eta vs tors. theta energy: -241.521
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: 5
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -2622.921635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2622.921635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2622.921635 (E_RNA)
where:
Base-Base interactions energy: -1755.646
where: short stacking energy: -735.063
Base-Backbone interact. energy: -3.933
local terms energy: -863.342891
where:
bonds (distance) C4'-P energy: -146.748
bonds (distance) P-C4' energy: -188.757
flat angles C4'-P-C4' energy: -194.368
flat angles P-C4'-P energy: -119.491
tors. eta vs tors. theta energy: -213.979
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: 4, replica: 1
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -2418.809711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2418.809711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2418.809711 (E_RNA)
where:
Base-Base interactions energy: -1636.745
where: short stacking energy: -680.973
Base-Backbone interact. energy: 5.121
local terms energy: -787.186251
where:
bonds (distance) C4'-P energy: -145.917
bonds (distance) P-C4' energy: -157.734
flat angles C4'-P-C4' energy: -171.271
flat angles P-C4'-P energy: -132.518
tors. eta vs tors. theta energy: -179.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -2327.446934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.446934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2327.446934 (E_RNA)
where:
Base-Base interactions energy: -1573.963
where: short stacking energy: -686.462
Base-Backbone interact. energy: -4.161
local terms energy: -749.322477
where:
bonds (distance) C4'-P energy: -158.262
bonds (distance) P-C4' energy: -146.470
flat angles C4'-P-C4' energy: -169.528
flat angles P-C4'-P energy: -97.989
tors. eta vs tors. theta energy: -177.074
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: 6
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -2047.620427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.620427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.620427 (E_RNA)
where:
Base-Base interactions energy: -1348.079
where: short stacking energy: -589.307
Base-Backbone interact. energy: 0.631
local terms energy: -700.172517
where:
bonds (distance) C4'-P energy: -154.137
bonds (distance) P-C4' energy: -135.997
flat angles C4'-P-C4' energy: -142.323
flat angles P-C4'-P energy: -113.559
tors. eta vs tors. theta energy: -154.157
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: 9
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -1434.431572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.431572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.431572 (E_RNA)
where:
Base-Base interactions energy: -821.615
where: short stacking energy: -402.964
Base-Backbone interact. energy: 4.913
local terms energy: -617.729157
where:
bonds (distance) C4'-P energy: -142.751
bonds (distance) P-C4' energy: -157.827
flat angles C4'-P-C4' energy: -154.081
flat angles P-C4'-P energy: -112.275
tors. eta vs tors. theta energy: -50.796
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: 8
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -1311.367310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.367310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.367310 (E_RNA)
where:
Base-Base interactions energy: -726.585
where: short stacking energy: -373.078
Base-Backbone interact. energy: 3.706
local terms energy: -588.488167
where:
bonds (distance) C4'-P energy: -143.780
bonds (distance) P-C4' energy: -148.542
flat angles C4'-P-C4' energy: -149.420
flat angles P-C4'-P energy: -84.719
tors. eta vs tors. theta energy: -62.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -934.708439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.708439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.708439 (E_RNA)
where:
Base-Base interactions energy: -423.128
where: short stacking energy: -268.332
Base-Backbone interact. energy: 2.210
local terms energy: -515.986697
where:
bonds (distance) C4'-P energy: -128.012
bonds (distance) P-C4' energy: -158.967
flat angles C4'-P-C4' energy: -149.057
flat angles P-C4'-P energy: -92.651
tors. eta vs tors. theta energy: 12.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.196 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -692.977412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.977412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.977412 (E_RNA)
where:
Base-Base interactions energy: -236.316
where: short stacking energy: -172.731
Base-Backbone interact. energy: 7.452
local terms energy: -464.112673
where:
bonds (distance) C4'-P energy: -141.935
bonds (distance) P-C4' energy: -160.545
flat angles C4'-P-C4' energy: -120.947
flat angles P-C4'-P energy: -65.552
tors. eta vs tors. theta energy: 24.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -2943.049783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2943.049783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2943.049783 (E_RNA)
where:
Base-Base interactions energy: -2055.675
where: short stacking energy: -841.774
Base-Backbone interact. energy: 4.527
local terms energy: -891.901721
where:
bonds (distance) C4'-P energy: -165.793
bonds (distance) P-C4' energy: -167.275
flat angles C4'-P-C4' energy: -208.696
flat angles P-C4'-P energy: -122.306
tors. eta vs tors. theta energy: -227.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -2891.103601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2891.103601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2891.103601 (E_RNA)
where:
Base-Base interactions energy: -2020.603
where: short stacking energy: -841.009
Base-Backbone interact. energy: -4.088
local terms energy: -866.412330
where:
bonds (distance) C4'-P energy: -149.759
bonds (distance) P-C4' energy: -160.711
flat angles C4'-P-C4' energy: -183.925
flat angles P-C4'-P energy: -122.289
tors. eta vs tors. theta energy: -249.728
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: 5
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -2594.859803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.859803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2594.859803 (E_RNA)
where:
Base-Base interactions energy: -1740.700
where: short stacking energy: -754.374
Base-Backbone interact. energy: -4.766
local terms energy: -849.393216
where:
bonds (distance) C4'-P energy: -153.711
bonds (distance) P-C4' energy: -184.184
flat angles C4'-P-C4' energy: -190.466
flat angles P-C4'-P energy: -111.330
tors. eta vs tors. theta energy: -209.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -2459.627311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2459.627311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2459.627311 (E_RNA)
where:
Base-Base interactions energy: -1651.950
where: short stacking energy: -662.677
Base-Backbone interact. energy: 1.402
local terms energy: -809.078842
where:
bonds (distance) C4'-P energy: -175.251
bonds (distance) P-C4' energy: -158.162
flat angles C4'-P-C4' energy: -187.688
flat angles P-C4'-P energy: -98.006
tors. eta vs tors. theta energy: -189.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -2410.758012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2410.758012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2410.758012 (E_RNA)
where:
Base-Base interactions energy: -1604.806
where: short stacking energy: -698.673
Base-Backbone interact. energy: 5.102
local terms energy: -811.053856
where:
bonds (distance) C4'-P energy: -140.535
bonds (distance) P-C4' energy: -169.922
flat angles C4'-P-C4' energy: -179.117
flat angles P-C4'-P energy: -118.829
tors. eta vs tors. theta energy: -202.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -2004.121878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.121878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.121878 (E_RNA)
where:
Base-Base interactions energy: -1263.323
where: short stacking energy: -607.078
Base-Backbone interact. energy: 3.354
local terms energy: -744.152428
where:
bonds (distance) C4'-P energy: -168.061
bonds (distance) P-C4' energy: -166.102
flat angles C4'-P-C4' energy: -152.606
flat angles P-C4'-P energy: -104.103
tors. eta vs tors. theta energy: -153.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -1412.627067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.627067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.627067 (E_RNA)
where:
Base-Base interactions energy: -798.650
where: short stacking energy: -406.036
Base-Backbone interact. energy: -2.715
local terms energy: -611.261847
where:
bonds (distance) C4'-P energy: -161.080
bonds (distance) P-C4' energy: -142.827
flat angles C4'-P-C4' energy: -150.749
flat angles P-C4'-P energy: -76.985
tors. eta vs tors. theta energy: -79.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -1272.374820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.374820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.374820 (E_RNA)
where:
Base-Base interactions energy: -687.556
where: short stacking energy: -343.260
Base-Backbone interact. energy: 3.041
local terms energy: -587.860073
where:
bonds (distance) C4'-P energy: -143.239
bonds (distance) P-C4' energy: -167.802
flat angles C4'-P-C4' energy: -120.733
flat angles P-C4'-P energy: -103.008
tors. eta vs tors. theta energy: -53.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -988.474078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.474078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.474078 (E_RNA)
where:
Base-Base interactions energy: -483.376
where: short stacking energy: -267.065
Base-Backbone interact. energy: 0.640
local terms energy: -505.738002
where:
bonds (distance) C4'-P energy: -155.289
bonds (distance) P-C4' energy: -146.641
flat angles C4'-P-C4' energy: -141.346
flat angles P-C4'-P energy: -62.065
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: 4
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -667.198637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.198637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.198637 (E_RNA)
where:
Base-Base interactions energy: -238.720
where: short stacking energy: -177.739
Base-Backbone interact. energy: 6.410
local terms energy: -434.888849
where:
bonds (distance) C4'-P energy: -140.266
bonds (distance) P-C4' energy: -143.372
flat angles C4'-P-C4' energy: -134.859
flat angles P-C4'-P energy: -69.775
tors. eta vs tors. theta energy: 53.383
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: 189
Temperature: 0.900000
Total energy: -2924.079700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2924.079700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2924.079700 (E_RNA)
where:
Base-Base interactions energy: -1997.698
where: short stacking energy: -840.099
Base-Backbone interact. energy: 2.985
local terms energy: -929.365989
where:
bonds (distance) C4'-P energy: -177.801
bonds (distance) P-C4' energy: -186.754
flat angles C4'-P-C4' energy: -194.595
flat angles P-C4'-P energy: -140.190
tors. eta vs tors. theta energy: -230.025
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: 2, replica: 7
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -2946.942033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2946.942033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2946.942033 (E_RNA)
where:
Base-Base interactions energy: -2007.516
where: short stacking energy: -849.619
Base-Backbone interact. energy: -6.070
local terms energy: -933.355846
where:
bonds (distance) C4'-P energy: -176.279
bonds (distance) P-C4' energy: -189.417
flat angles C4'-P-C4' energy: -192.958
flat angles P-C4'-P energy: -124.201
tors. eta vs tors. theta energy: -250.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -2630.184453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2630.184453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2630.184453 (E_RNA)
where:
Base-Base interactions energy: -1767.240
where: short stacking energy: -790.295
Base-Backbone interact. energy: -0.649
local terms energy: -862.295681
where:
bonds (distance) C4'-P energy: -163.491
bonds (distance) P-C4' energy: -170.021
flat angles C4'-P-C4' energy: -199.165
flat angles P-C4'-P energy: -101.221
tors. eta vs tors. theta energy: -228.399
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: 1
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -2571.492161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2571.492161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2571.492161 (E_RNA)
where:
Base-Base interactions energy: -1737.561
where: short stacking energy: -750.602
Base-Backbone interact. energy: 3.703
local terms energy: -837.634669
where:
bonds (distance) C4'-P energy: -157.921
bonds (distance) P-C4' energy: -169.290
flat angles C4'-P-C4' energy: -171.908
flat angles P-C4'-P energy: -115.376
tors. eta vs tors. theta energy: -223.140
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: 10
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -2400.014690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2400.014690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2400.014690 (E_RNA)
where:
Base-Base interactions energy: -1583.980
where: short stacking energy: -694.728
Base-Backbone interact. energy: -1.406
local terms energy: -814.629194
where:
bonds (distance) C4'-P energy: -161.106
bonds (distance) P-C4' energy: -171.158
flat angles C4'-P-C4' energy: -184.560
flat angles P-C4'-P energy: -115.019
tors. eta vs tors. theta energy: -182.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -1977.501926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.501926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.501926 (E_RNA)
where:
Base-Base interactions energy: -1273.040
where: short stacking energy: -549.709
Base-Backbone interact. energy: -1.325
local terms energy: -703.137117
where:
bonds (distance) C4'-P energy: -151.452
bonds (distance) P-C4' energy: -139.729
flat angles C4'-P-C4' energy: -175.012
flat angles P-C4'-P energy: -96.258
tors. eta vs tors. theta energy: -140.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -1342.890514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.890514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.890514 (E_RNA)
where:
Base-Base interactions energy: -716.759
where: short stacking energy: -396.756
Base-Backbone interact. energy: 2.422
local terms energy: -628.553078
where:
bonds (distance) C4'-P energy: -157.257
bonds (distance) P-C4' energy: -153.269
flat angles C4'-P-C4' energy: -154.586
flat angles P-C4'-P energy: -101.438
tors. eta vs tors. theta energy: -62.004
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: 8
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -1213.862143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.862143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.862143 (E_RNA)
where:
Base-Base interactions energy: -658.035
where: short stacking energy: -329.430
Base-Backbone interact. energy: -3.243
local terms energy: -552.584488
where:
bonds (distance) C4'-P energy: -144.387
bonds (distance) P-C4' energy: -150.737
flat angles C4'-P-C4' energy: -151.271
flat angles P-C4'-P energy: -80.852
tors. eta vs tors. theta energy: -25.338
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: 9, replica: 2
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -1002.077391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.077391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.077391 (E_RNA)
where:
Base-Base interactions energy: -502.416
where: short stacking energy: -274.234
Base-Backbone interact. energy: -1.005
local terms energy: -498.656838
where:
bonds (distance) C4'-P energy: -130.215
bonds (distance) P-C4' energy: -135.391
flat angles C4'-P-C4' energy: -123.641
flat angles P-C4'-P energy: -112.437
tors. eta vs tors. theta energy: 3.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -657.064942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.064942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.064942 (E_RNA)
where:
Base-Base interactions energy: -191.201
where: short stacking energy: -161.594
Base-Backbone interact. energy: 0.255
local terms energy: -466.119486
where:
bonds (distance) C4'-P energy: -151.099
bonds (distance) P-C4' energy: -158.295
flat angles C4'-P-C4' energy: -111.218
flat angles P-C4'-P energy: -90.282
tors. eta vs tors. theta energy: 44.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -2981.304637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2981.304637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2981.304637 (E_RNA)
where:
Base-Base interactions energy: -2019.671
where: short stacking energy: -867.779
Base-Backbone interact. energy: -3.306
local terms energy: -958.327549
where:
bonds (distance) C4'-P energy: -176.171
bonds (distance) P-C4' energy: -187.754
flat angles C4'-P-C4' energy: -200.310
flat angles P-C4'-P energy: -123.534
tors. eta vs tors. theta energy: -270.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -2860.248302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2860.248302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2860.248302 (E_RNA)
where:
Base-Base interactions energy: -1966.572
where: short stacking energy: -795.453
Base-Backbone interact. energy: -4.088
local terms energy: -889.588389
where:
bonds (distance) C4'-P energy: -164.725
bonds (distance) P-C4' energy: -180.897
flat angles C4'-P-C4' energy: -197.794
flat angles P-C4'-P energy: -114.914
tors. eta vs tors. theta energy: -231.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -2612.113436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2612.113436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2612.113436 (E_RNA)
where:
Base-Base interactions energy: -1770.684
where: short stacking energy: -757.887
Base-Backbone interact. energy: -1.652
local terms energy: -839.778239
where:
bonds (distance) C4'-P energy: -139.852
bonds (distance) P-C4' energy: -173.305
flat angles C4'-P-C4' energy: -199.794
flat angles P-C4'-P energy: -110.158
tors. eta vs tors. theta energy: -216.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -2525.158985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2525.158985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2525.158985 (E_RNA)
where:
Base-Base interactions energy: -1681.264
where: short stacking energy: -717.207
Base-Backbone interact. energy: -9.122
local terms energy: -834.772778
where:
bonds (distance) C4'-P energy: -169.463
bonds (distance) P-C4' energy: -148.379
flat angles C4'-P-C4' energy: -187.253
flat angles P-C4'-P energy: -105.708
tors. eta vs tors. theta energy: -223.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -2455.293796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2455.293796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2455.293796 (E_RNA)
where:
Base-Base interactions energy: -1653.300
where: short stacking energy: -737.648
Base-Backbone interact. energy: 5.281
local terms energy: -807.274111
where:
bonds (distance) C4'-P energy: -156.225
bonds (distance) P-C4' energy: -168.850
flat angles C4'-P-C4' energy: -170.687
flat angles P-C4'-P energy: -112.975
tors. eta vs tors. theta energy: -198.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -1971.000445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.000445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.000445 (E_RNA)
where:
Base-Base interactions energy: -1255.049
where: short stacking energy: -561.533
Base-Backbone interact. energy: -1.405
local terms energy: -714.546391
where:
bonds (distance) C4'-P energy: -139.601
bonds (distance) P-C4' energy: -159.519
flat angles C4'-P-C4' energy: -162.953
flat angles P-C4'-P energy: -111.591
tors. eta vs tors. theta energy: -140.881
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: 8
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -1403.644836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.644836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.644836 (E_RNA)
where:
Base-Base interactions energy: -771.387
where: short stacking energy: -411.709
Base-Backbone interact. energy: 0.109
local terms energy: -632.366659
where:
bonds (distance) C4'-P energy: -154.947
bonds (distance) P-C4' energy: -162.116
flat angles C4'-P-C4' energy: -159.149
flat angles P-C4'-P energy: -86.325
tors. eta vs tors. theta energy: -69.829
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: 8, replica: 9
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -1325.864296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.864296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.864296 (E_RNA)
where:
Base-Base interactions energy: -756.334
where: short stacking energy: -353.219
Base-Backbone interact. energy: -1.286
local terms energy: -568.244164
where:
bonds (distance) C4'-P energy: -151.727
bonds (distance) P-C4' energy: -154.886
flat angles C4'-P-C4' energy: -130.084
flat angles P-C4'-P energy: -79.253
tors. eta vs tors. theta energy: -52.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -953.953964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.953964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.953964 (E_RNA)
where:
Base-Base interactions energy: -451.049
where: short stacking energy: -252.359
Base-Backbone interact. energy: 4.689
local terms energy: -507.593930
where:
bonds (distance) C4'-P energy: -115.310
bonds (distance) P-C4' energy: -157.363
flat angles C4'-P-C4' energy: -138.291
flat angles P-C4'-P energy: -95.183
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: 10, replica: 4
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -657.687641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.687641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.687641 (E_RNA)
where:
Base-Base interactions energy: -218.785
where: short stacking energy: -155.250
Base-Backbone interact. energy: -0.069
local terms energy: -438.833920
where:
bonds (distance) C4'-P energy: -139.656
bonds (distance) P-C4' energy: -132.768
flat angles C4'-P-C4' energy: -111.515
flat angles P-C4'-P energy: -87.240
tors. eta vs tors. theta energy: 32.346
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: 7
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -3007.871026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3007.871026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3007.871026 (E_RNA)
where:
Base-Base interactions energy: -2072.116
where: short stacking energy: -869.955
Base-Backbone interact. energy: -4.580
local terms energy: -931.174342
where:
bonds (distance) C4'-P energy: -170.271
bonds (distance) P-C4' energy: -160.377
flat angles C4'-P-C4' energy: -193.971
flat angles P-C4'-P energy: -140.775
tors. eta vs tors. theta energy: -265.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -2865.144688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2865.144688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2865.144688 (E_RNA)
where:
Base-Base interactions energy: -1990.377
where: short stacking energy: -795.318
Base-Backbone interact. energy: -0.308
local terms energy: -874.459354
where:
bonds (distance) C4'-P energy: -168.434
bonds (distance) P-C4' energy: -166.019
flat angles C4'-P-C4' energy: -203.767
flat angles P-C4'-P energy: -96.606
tors. eta vs tors. theta energy: -239.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -2617.037763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2617.037763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2617.037763 (E_RNA)
where:
Base-Base interactions energy: -1713.223
where: short stacking energy: -743.318
Base-Backbone interact. energy: -11.110
local terms energy: -892.704911
where:
bonds (distance) C4'-P energy: -160.077
bonds (distance) P-C4' energy: -187.539
flat angles C4'-P-C4' energy: -193.097
flat angles P-C4'-P energy: -131.889
tors. eta vs tors. theta energy: -220.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -2496.421584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2496.421584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2496.421584 (E_RNA)
where:
Base-Base interactions energy: -1692.010
where: short stacking energy: -701.899
Base-Backbone interact. energy: -6.490
local terms energy: -797.921307
where:
bonds (distance) C4'-P energy: -169.748
bonds (distance) P-C4' energy: -148.991
flat angles C4'-P-C4' energy: -187.919
flat angles P-C4'-P energy: -97.550
tors. eta vs tors. theta energy: -193.714
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: 10
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -2439.108589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2439.108589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2439.108589 (E_RNA)
where:
Base-Base interactions energy: -1623.227
where: short stacking energy: -680.806
Base-Backbone interact. energy: -4.485
local terms energy: -811.396377
where:
bonds (distance) C4'-P energy: -169.737
bonds (distance) P-C4' energy: -167.741
flat angles C4'-P-C4' energy: -166.734
flat angles P-C4'-P energy: -117.417
tors. eta vs tors. theta energy: -189.767
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: 6, replica: 6
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -2003.432204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.432204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.432204 (E_RNA)
where:
Base-Base interactions energy: -1280.525
where: short stacking energy: -595.875
Base-Backbone interact. energy: 5.445
local terms energy: -728.352038
where:
bonds (distance) C4'-P energy: -143.836
bonds (distance) P-C4' energy: -179.207
flat angles C4'-P-C4' energy: -149.140
flat angles P-C4'-P energy: -107.343
tors. eta vs tors. theta energy: -148.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -1425.009452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.009452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.009452 (E_RNA)
where:
Base-Base interactions energy: -815.875
where: short stacking energy: -400.201
Base-Backbone interact. energy: -0.243
local terms energy: -608.891517
where:
bonds (distance) C4'-P energy: -144.105
bonds (distance) P-C4' energy: -158.737
flat angles C4'-P-C4' energy: -141.304
flat angles P-C4'-P energy: -92.168
tors. eta vs tors. theta energy: -72.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -1337.314614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.314614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.314614 (E_RNA)
where:
Base-Base interactions energy: -758.927
where: short stacking energy: -366.720
Base-Backbone interact. energy: -3.669
local terms energy: -574.718685
where:
bonds (distance) C4'-P energy: -152.422
bonds (distance) P-C4' energy: -135.028
flat angles C4'-P-C4' energy: -151.087
flat angles P-C4'-P energy: -68.692
tors. eta vs tors. theta energy: -67.489
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: 191
Temperature: 1.300000
Total energy: -948.724778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.724778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.724778 (E_RNA)
where:
Base-Base interactions energy: -453.501
where: short stacking energy: -256.406
Base-Backbone interact. energy: -0.782
local terms energy: -494.441924
where:
bonds (distance) C4'-P energy: -127.303
bonds (distance) P-C4' energy: -147.837
flat angles C4'-P-C4' energy: -136.783
flat angles P-C4'-P energy: -89.263
tors. eta vs tors. theta energy: 6.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -714.459755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.459755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.459755 (E_RNA)
where:
Base-Base interactions energy: -272.093
where: short stacking energy: -218.281
Base-Backbone interact. energy: 4.375
local terms energy: -446.742268
where:
bonds (distance) C4'-P energy: -146.164
bonds (distance) P-C4' energy: -150.048
flat angles C4'-P-C4' energy: -117.483
flat angles P-C4'-P energy: -55.184
tors. eta vs tors. theta energy: 22.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -3000.615472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3000.615472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3000.615472 (E_RNA)
where:
Base-Base interactions energy: -2047.921
where: short stacking energy: -853.756
Base-Backbone interact. energy: -4.639
local terms energy: -948.055276
where:
bonds (distance) C4'-P energy: -176.757
bonds (distance) P-C4' energy: -187.639
flat angles C4'-P-C4' energy: -206.617
flat angles P-C4'-P energy: -115.605
tors. eta vs tors. theta energy: -261.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -2843.602860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2843.602860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2843.602860 (E_RNA)
where:
Base-Base interactions energy: -1978.713
where: short stacking energy: -774.380
Base-Backbone interact. energy: 0.123
local terms energy: -865.012575
where:
bonds (distance) C4'-P energy: -157.991
bonds (distance) P-C4' energy: -176.650
flat angles C4'-P-C4' energy: -192.176
flat angles P-C4'-P energy: -124.056
tors. eta vs tors. theta energy: -214.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -2538.560516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2538.560516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2538.560516 (E_RNA)
where:
Base-Base interactions energy: -1674.166
where: short stacking energy: -720.451
Base-Backbone interact. energy: -0.305
local terms energy: -864.089442
where:
bonds (distance) C4'-P energy: -166.352
bonds (distance) P-C4' energy: -180.986
flat angles C4'-P-C4' energy: -174.611
flat angles P-C4'-P energy: -128.950
tors. eta vs tors. theta energy: -213.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -2491.169047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2491.169047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2491.169047 (E_RNA)
where:
Base-Base interactions energy: -1670.290
where: short stacking energy: -733.805
Base-Backbone interact. energy: -3.432
local terms energy: -817.447051
where:
bonds (distance) C4'-P energy: -151.093
bonds (distance) P-C4' energy: -166.858
flat angles C4'-P-C4' energy: -176.722
flat angles P-C4'-P energy: -105.069
tors. eta vs tors. theta energy: -217.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -2360.130905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.130905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2360.130905 (E_RNA)
where:
Base-Base interactions energy: -1557.181
where: short stacking energy: -705.455
Base-Backbone interact. energy: -1.230
local terms energy: -801.720018
where:
bonds (distance) C4'-P energy: -145.777
bonds (distance) P-C4' energy: -166.212
flat angles C4'-P-C4' energy: -174.489
flat angles P-C4'-P energy: -117.558
tors. eta vs tors. theta energy: -197.685
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: 6
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -2029.377885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.377885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.377885 (E_RNA)
where:
Base-Base interactions energy: -1311.242
where: short stacking energy: -602.752
Base-Backbone interact. energy: 2.888
local terms energy: -721.023461
where:
bonds (distance) C4'-P energy: -143.919
bonds (distance) P-C4' energy: -159.263
flat angles C4'-P-C4' energy: -167.665
flat angles P-C4'-P energy: -93.440
tors. eta vs tors. theta energy: -156.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -1460.120642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.120642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.120642 (E_RNA)
where:
Base-Base interactions energy: -857.275
where: short stacking energy: -416.740
Base-Backbone interact. energy: 4.939
local terms energy: -607.784603
where:
bonds (distance) C4'-P energy: -142.906
bonds (distance) P-C4' energy: -156.898
flat angles C4'-P-C4' energy: -151.951
flat angles P-C4'-P energy: -83.172
tors. eta vs tors. theta energy: -72.857
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: 9
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -1323.272067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.272067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.272067 (E_RNA)
where:
Base-Base interactions energy: -772.134
where: short stacking energy: -390.139
Base-Backbone interact. energy: -3.850
local terms energy: -547.287654
where:
bonds (distance) C4'-P energy: -143.585
bonds (distance) P-C4' energy: -115.840
flat angles C4'-P-C4' energy: -136.246
flat angles P-C4'-P energy: -83.501
tors. eta vs tors. theta energy: -68.115
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: 192
Temperature: 1.300000
Total energy: -951.933839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.933839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.933839 (E_RNA)
where:
Base-Base interactions energy: -432.479
where: short stacking energy: -273.524
Base-Backbone interact. energy: -0.343
local terms energy: -519.112131
where:
bonds (distance) C4'-P energy: -147.138
bonds (distance) P-C4' energy: -147.505
flat angles C4'-P-C4' energy: -138.141
flat angles P-C4'-P energy: -96.164
tors. eta vs tors. theta energy: 9.836
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: 4
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -784.963519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.963519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.963519 (E_RNA)
where:
Base-Base interactions energy: -347.350
where: short stacking energy: -209.711
Base-Backbone interact. energy: 4.017
local terms energy: -441.630631
where:
bonds (distance) C4'-P energy: -145.236
bonds (distance) P-C4' energy: -131.785
flat angles C4'-P-C4' energy: -127.063
flat angles P-C4'-P energy: -54.830
tors. eta vs tors. theta energy: 17.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -3021.680317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3021.680317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3021.680317 (E_RNA)
where:
Base-Base interactions energy: -2057.886
where: short stacking energy: -859.900
Base-Backbone interact. energy: -2.698
local terms energy: -961.096066
where:
bonds (distance) C4'-P energy: -181.061
bonds (distance) P-C4' energy: -177.172
flat angles C4'-P-C4' energy: -215.147
flat angles P-C4'-P energy: -140.679
tors. eta vs tors. theta energy: -247.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -2766.385353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2766.385353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2766.385353 (E_RNA)
where:
Base-Base interactions energy: -1902.951
where: short stacking energy: -753.569
Base-Backbone interact. energy: -3.933
local terms energy: -859.501580
where:
bonds (distance) C4'-P energy: -167.919
bonds (distance) P-C4' energy: -180.579
flat angles C4'-P-C4' energy: -195.170
flat angles P-C4'-P energy: -103.624
tors. eta vs tors. theta energy: -212.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -2457.059240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2457.059240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2457.059240 (E_RNA)
where:
Base-Base interactions energy: -1626.459
where: short stacking energy: -726.085
Base-Backbone interact. energy: -1.838
local terms energy: -828.761825
where:
bonds (distance) C4'-P energy: -168.816
bonds (distance) P-C4' energy: -154.573
flat angles C4'-P-C4' energy: -189.649
flat angles P-C4'-P energy: -119.308
tors. eta vs tors. theta energy: -196.417
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: 4, replica: 10
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -2509.488856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2509.488856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2509.488856 (E_RNA)
where:
Base-Base interactions energy: -1684.124
where: short stacking energy: -760.129
Base-Backbone interact. energy: -2.019
local terms energy: -823.346612
where:
bonds (distance) C4'-P energy: -141.993
bonds (distance) P-C4' energy: -160.044
flat angles C4'-P-C4' energy: -182.101
flat angles P-C4'-P energy: -112.762
tors. eta vs tors. theta energy: -226.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -2354.441403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2354.441403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.441403 (E_RNA)
where:
Base-Base interactions energy: -1602.163
where: short stacking energy: -660.172
Base-Backbone interact. energy: -2.708
local terms energy: -749.570590
where:
bonds (distance) C4'-P energy: -134.639
bonds (distance) P-C4' energy: -168.493
flat angles C4'-P-C4' energy: -167.847
flat angles P-C4'-P energy: -105.997
tors. eta vs tors. theta energy: -172.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -1988.249971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.249971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.249971 (E_RNA)
where:
Base-Base interactions energy: -1248.297
where: short stacking energy: -541.951
Base-Backbone interact. energy: -5.154
local terms energy: -734.798748
where:
bonds (distance) C4'-P energy: -161.931
bonds (distance) P-C4' energy: -176.515
flat angles C4'-P-C4' energy: -168.962
flat angles P-C4'-P energy: -89.225
tors. eta vs tors. theta energy: -138.165
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: 7, replica: 8
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -1457.352724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.352724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.352724 (E_RNA)
where:
Base-Base interactions energy: -826.559
where: short stacking energy: -403.603
Base-Backbone interact. energy: -4.217
local terms energy: -626.576099
where:
bonds (distance) C4'-P energy: -164.609
bonds (distance) P-C4' energy: -138.043
flat angles C4'-P-C4' energy: -170.671
flat angles P-C4'-P energy: -90.107
tors. eta vs tors. theta energy: -63.146
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: 9
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -1357.343018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.343018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.343018 (E_RNA)
where:
Base-Base interactions energy: -806.015
where: short stacking energy: -366.116
Base-Backbone interact. energy: -2.510
local terms energy: -548.818050
where:
bonds (distance) C4'-P energy: -142.096
bonds (distance) P-C4' energy: -138.276
flat angles C4'-P-C4' energy: -139.721
flat angles P-C4'-P energy: -81.953
tors. eta vs tors. theta energy: -46.772
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: 193
Temperature: 1.300000
Total energy: -935.918138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.918138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.918138 (E_RNA)
where:
Base-Base interactions energy: -411.321
where: short stacking energy: -208.535
Base-Backbone interact. energy: -3.750
local terms energy: -520.846860
where:
bonds (distance) C4'-P energy: -150.083
bonds (distance) P-C4' energy: -168.537
flat angles C4'-P-C4' energy: -140.437
flat angles P-C4'-P energy: -95.767
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: 10, replica: 4
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -774.200400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.200400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.200400 (E_RNA)
where:
Base-Base interactions energy: -335.241
where: short stacking energy: -239.534
Base-Backbone interact. energy: 0.013
local terms energy: -438.972153
where:
bonds (distance) C4'-P energy: -123.373
bonds (distance) P-C4' energy: -155.762
flat angles C4'-P-C4' energy: -114.791
flat angles P-C4'-P energy: -62.666
tors. eta vs tors. theta energy: 17.619
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: 7
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -2995.783253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2995.783253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2995.783253 (E_RNA)
where:
Base-Base interactions energy: -2073.852
where: short stacking energy: -848.515
Base-Backbone interact. energy: -7.177
local terms energy: -914.754549
where:
bonds (distance) C4'-P energy: -160.599
bonds (distance) P-C4' energy: -183.857
flat angles C4'-P-C4' energy: -190.273
flat angles P-C4'-P energy: -125.906
tors. eta vs tors. theta energy: -254.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -2790.192447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2790.192447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2790.192447 (E_RNA)
where:
Base-Base interactions energy: -1899.697
where: short stacking energy: -774.094
Base-Backbone interact. energy: -1.692
local terms energy: -888.803719
where:
bonds (distance) C4'-P energy: -162.897
bonds (distance) P-C4' energy: -176.865
flat angles C4'-P-C4' energy: -201.878
flat angles P-C4'-P energy: -139.037
tors. eta vs tors. theta energy: -208.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -2548.884085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2548.884085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2548.884085 (E_RNA)
where:
Base-Base interactions energy: -1695.903
where: short stacking energy: -700.923
Base-Backbone interact. energy: -5.759
local terms energy: -847.222609
where:
bonds (distance) C4'-P energy: -156.751
bonds (distance) P-C4' energy: -163.384
flat angles C4'-P-C4' energy: -200.723
flat angles P-C4'-P energy: -132.706
tors. eta vs tors. theta energy: -193.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -2556.182004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2556.182004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2556.182004 (E_RNA)
where:
Base-Base interactions energy: -1725.599
where: short stacking energy: -738.141
Base-Backbone interact. energy: -1.651
local terms energy: -828.932002
where:
bonds (distance) C4'-P energy: -158.212
bonds (distance) P-C4' energy: -161.069
flat angles C4'-P-C4' energy: -192.030
flat angles P-C4'-P energy: -112.917
tors. eta vs tors. theta energy: -204.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -2357.599794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2357.599794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2357.599794 (E_RNA)
where:
Base-Base interactions energy: -1592.590
where: short stacking energy: -649.988
Base-Backbone interact. energy: -3.613
local terms energy: -761.396550
where:
bonds (distance) C4'-P energy: -142.897
bonds (distance) P-C4' energy: -165.530
flat angles C4'-P-C4' energy: -183.748
flat angles P-C4'-P energy: -96.590
tors. eta vs tors. theta energy: -172.631
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: 6
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -2032.000353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.000353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.000353 (E_RNA)
where:
Base-Base interactions energy: -1308.059
where: short stacking energy: -590.580
Base-Backbone interact. energy: -0.297
local terms energy: -723.644079
where:
bonds (distance) C4'-P energy: -153.261
bonds (distance) P-C4' energy: -144.310
flat angles C4'-P-C4' energy: -163.024
flat angles P-C4'-P energy: -113.538
tors. eta vs tors. theta energy: -149.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -1514.966572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.966572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1514.966572 (E_RNA)
where:
Base-Base interactions energy: -906.846
where: short stacking energy: -426.988
Base-Backbone interact. energy: -3.970
local terms energy: -604.151146
where:
bonds (distance) C4'-P energy: -121.722
bonds (distance) P-C4' energy: -166.924
flat angles C4'-P-C4' energy: -143.843
flat angles P-C4'-P energy: -91.178
tors. eta vs tors. theta energy: -80.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -1456.923039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.923039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.923039 (E_RNA)
where:
Base-Base interactions energy: -875.146
where: short stacking energy: -384.052
Base-Backbone interact. energy: -3.578
local terms energy: -578.198998
where:
bonds (distance) C4'-P energy: -135.767
bonds (distance) P-C4' energy: -150.268
flat angles C4'-P-C4' energy: -130.700
flat angles P-C4'-P energy: -109.769
tors. eta vs tors. theta energy: -51.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -1021.268023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.268023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.268023 (E_RNA)
where:
Base-Base interactions energy: -524.325
where: short stacking energy: -307.833
Base-Backbone interact. energy: 6.364
local terms energy: -503.307549
where:
bonds (distance) C4'-P energy: -135.554
bonds (distance) P-C4' energy: -146.632
flat angles C4'-P-C4' energy: -126.186
flat angles P-C4'-P energy: -78.864
tors. eta vs tors. theta energy: -16.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -767.662293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.662293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.662293 (E_RNA)
where:
Base-Base interactions energy: -303.492
where: short stacking energy: -185.159
Base-Backbone interact. energy: 3.901
local terms energy: -468.071414
where:
bonds (distance) C4'-P energy: -148.304
bonds (distance) P-C4' energy: -146.168
flat angles C4'-P-C4' energy: -135.419
flat angles P-C4'-P energy: -75.126
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: 1, replica: 7
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -2990.377952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2990.377952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2990.377952 (E_RNA)
where:
Base-Base interactions energy: -2041.143
where: short stacking energy: -868.585
Base-Backbone interact. energy: -4.273
local terms energy: -944.962430
where:
bonds (distance) C4'-P energy: -180.389
bonds (distance) P-C4' energy: -171.582
flat angles C4'-P-C4' energy: -192.637
flat angles P-C4'-P energy: -132.426
tors. eta vs tors. theta energy: -267.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -2793.081968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2793.081968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2793.081968 (E_RNA)
where:
Base-Base interactions energy: -1918.886
where: short stacking energy: -802.159
Base-Backbone interact. energy: -1.948
local terms energy: -872.247301
where:
bonds (distance) C4'-P energy: -169.636
bonds (distance) P-C4' energy: -164.917
flat angles C4'-P-C4' energy: -192.120
flat angles P-C4'-P energy: -131.942
tors. eta vs tors. theta energy: -213.632
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: 3, replica: 5
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -2588.708282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2588.708282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2588.708282 (E_RNA)
where:
Base-Base interactions energy: -1730.869
where: short stacking energy: -750.516
Base-Backbone interact. energy: -1.693
local terms energy: -856.146955
where:
bonds (distance) C4'-P energy: -136.515
bonds (distance) P-C4' energy: -174.584
flat angles C4'-P-C4' energy: -188.296
flat angles P-C4'-P energy: -134.599
tors. eta vs tors. theta energy: -222.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -2473.578346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2473.578346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2473.578346 (E_RNA)
where:
Base-Base interactions energy: -1672.155
where: short stacking energy: -745.391
Base-Backbone interact. energy: -0.627
local terms energy: -800.796656
where:
bonds (distance) C4'-P energy: -134.621
bonds (distance) P-C4' energy: -160.674
flat angles C4'-P-C4' energy: -177.157
flat angles P-C4'-P energy: -111.957
tors. eta vs tors. theta energy: -216.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -2348.114416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2348.114416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2348.114416 (E_RNA)
where:
Base-Base interactions energy: -1603.008
where: short stacking energy: -689.848
Base-Backbone interact. energy: 1.208
local terms energy: -746.314773
where:
bonds (distance) C4'-P energy: -127.629
bonds (distance) P-C4' energy: -159.723
flat angles C4'-P-C4' energy: -161.965
flat angles P-C4'-P energy: -95.208
tors. eta vs tors. theta energy: -201.791
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: 6, replica: 6
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -1995.415028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.415028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.415028 (E_RNA)
where:
Base-Base interactions energy: -1263.612
where: short stacking energy: -587.965
Base-Backbone interact. energy: 1.572
local terms energy: -733.375205
where:
bonds (distance) C4'-P energy: -160.212
bonds (distance) P-C4' energy: -152.412
flat angles C4'-P-C4' energy: -150.254
flat angles P-C4'-P energy: -117.019
tors. eta vs tors. theta energy: -153.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -1484.779656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.779656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.779656 (E_RNA)
where:
Base-Base interactions energy: -849.661
where: short stacking energy: -402.297
Base-Backbone interact. energy: -0.430
local terms energy: -634.688243
where:
bonds (distance) C4'-P energy: -145.428
bonds (distance) P-C4' energy: -160.046
flat angles C4'-P-C4' energy: -166.114
flat angles P-C4'-P energy: -95.219
tors. eta vs tors. theta energy: -67.882
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: 9
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -1464.052351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.052351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1464.052351 (E_RNA)
where:
Base-Base interactions energy: -893.811
where: short stacking energy: -401.632
Base-Backbone interact. energy: -2.565
local terms energy: -567.676602
where:
bonds (distance) C4'-P energy: -132.156
bonds (distance) P-C4' energy: -134.367
flat angles C4'-P-C4' energy: -156.406
flat angles P-C4'-P energy: -89.398
tors. eta vs tors. theta energy: -55.349
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: 2
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -957.590830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.590830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.590830 (E_RNA)
where:
Base-Base interactions energy: -447.443
where: short stacking energy: -279.483
Base-Backbone interact. energy: 2.718
local terms energy: -512.865983
where:
bonds (distance) C4'-P energy: -148.626
bonds (distance) P-C4' energy: -157.710
flat angles C4'-P-C4' energy: -127.723
flat angles P-C4'-P energy: -71.030
tors. eta vs tors. theta energy: -7.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -683.452396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.452396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.452396 (E_RNA)
where:
Base-Base interactions energy: -262.145
where: short stacking energy: -178.825
Base-Backbone interact. energy: -2.655
local terms energy: -418.652893
where:
bonds (distance) C4'-P energy: -152.488
bonds (distance) P-C4' energy: -124.451
flat angles C4'-P-C4' energy: -131.194
flat angles P-C4'-P energy: -61.095
tors. eta vs tors. theta energy: 50.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -3016.145512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3016.145512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3016.145512 (E_RNA)
where:
Base-Base interactions energy: -2072.179
where: short stacking energy: -894.543
Base-Backbone interact. energy: -1.109
local terms energy: -942.856785
where:
bonds (distance) C4'-P energy: -160.209
bonds (distance) P-C4' energy: -179.236
flat angles C4'-P-C4' energy: -201.254
flat angles P-C4'-P energy: -138.328
tors. eta vs tors. theta energy: -263.830
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: 3
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -2793.736926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2793.736926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2793.736926 (E_RNA)
where:
Base-Base interactions energy: -1929.293
where: short stacking energy: -795.947
Base-Backbone interact. energy: 7.983
local terms energy: -872.426342
where:
bonds (distance) C4'-P energy: -174.753
bonds (distance) P-C4' energy: -162.183
flat angles C4'-P-C4' energy: -185.497
flat angles P-C4'-P energy: -122.621
tors. eta vs tors. theta energy: -227.373
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: 5
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -2607.629045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2607.629045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2607.629045 (E_RNA)
where:
Base-Base interactions energy: -1737.231
where: short stacking energy: -783.328
Base-Backbone interact. energy: -5.656
local terms energy: -864.742065
where:
bonds (distance) C4'-P energy: -152.920
bonds (distance) P-C4' energy: -165.481
flat angles C4'-P-C4' energy: -198.384
flat angles P-C4'-P energy: -109.967
tors. eta vs tors. theta energy: -237.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -2486.444148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2486.444148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2486.444148 (E_RNA)
where:
Base-Base interactions energy: -1692.123
where: short stacking energy: -728.097
Base-Backbone interact. energy: 2.429
local terms energy: -796.749970
where:
bonds (distance) C4'-P energy: -150.926
bonds (distance) P-C4' energy: -150.646
flat angles C4'-P-C4' energy: -184.406
flat angles P-C4'-P energy: -109.409
tors. eta vs tors. theta energy: -201.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -2384.411334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2384.411334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2384.411334 (E_RNA)
where:
Base-Base interactions energy: -1601.045
where: short stacking energy: -660.419
Base-Backbone interact. energy: -1.425
local terms energy: -781.940749
where:
bonds (distance) C4'-P energy: -158.446
bonds (distance) P-C4' energy: -149.299
flat angles C4'-P-C4' energy: -163.227
flat angles P-C4'-P energy: -116.603
tors. eta vs tors. theta energy: -194.365
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: 6
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -2061.177219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.177219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.177219 (E_RNA)
where:
Base-Base interactions energy: -1351.685
where: short stacking energy: -599.217
Base-Backbone interact. energy: 0.093
local terms energy: -709.585119
where:
bonds (distance) C4'-P energy: -142.317
bonds (distance) P-C4' energy: -146.217
flat angles C4'-P-C4' energy: -160.856
flat angles P-C4'-P energy: -109.802
tors. eta vs tors. theta energy: -150.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -1523.094381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.094381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.094381 (E_RNA)
where:
Base-Base interactions energy: -895.443
where: short stacking energy: -437.645
Base-Backbone interact. energy: -1.357
local terms energy: -626.294855
where:
bonds (distance) C4'-P energy: -139.937
bonds (distance) P-C4' energy: -142.410
flat angles C4'-P-C4' energy: -160.005
flat angles P-C4'-P energy: -98.656
tors. eta vs tors. theta energy: -85.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -1364.607933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.607933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.607933 (E_RNA)
where:
Base-Base interactions energy: -773.252
where: short stacking energy: -379.833
Base-Backbone interact. energy: 2.287
local terms energy: -593.642276
where:
bonds (distance) C4'-P energy: -134.284
bonds (distance) P-C4' energy: -152.842
flat angles C4'-P-C4' energy: -150.532
flat angles P-C4'-P energy: -89.161
tors. eta vs tors. theta energy: -66.823
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: 196
Temperature: 1.300000
Total energy: -942.664037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.664037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.664037 (E_RNA)
where:
Base-Base interactions energy: -451.661
where: short stacking energy: -280.932
Base-Backbone interact. energy: 0.181
local terms energy: -491.184726
where:
bonds (distance) C4'-P energy: -143.975
bonds (distance) P-C4' energy: -159.274
flat angles C4'-P-C4' energy: -120.372
flat angles P-C4'-P energy: -71.756
tors. eta vs tors. theta energy: 4.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -709.092236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.092236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.092236 (E_RNA)
where:
Base-Base interactions energy: -301.806
where: short stacking energy: -214.680
Base-Backbone interact. energy: 12.596
local terms energy: -419.881718
where:
bonds (distance) C4'-P energy: -135.351
bonds (distance) P-C4' energy: -121.064
flat angles C4'-P-C4' energy: -133.446
flat angles P-C4'-P energy: -49.477
tors. eta vs tors. theta energy: 19.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -3002.860958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3002.860958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3002.860958 (E_RNA)
where:
Base-Base interactions energy: -2053.970
where: short stacking energy: -863.863
Base-Backbone interact. energy: -3.788
local terms energy: -945.102810
where:
bonds (distance) C4'-P energy: -165.544
bonds (distance) P-C4' energy: -172.760
flat angles C4'-P-C4' energy: -195.137
flat angles P-C4'-P energy: -141.853
tors. eta vs tors. theta energy: -269.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -2782.269535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2782.269535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2782.269535 (E_RNA)
where:
Base-Base interactions energy: -1887.634
where: short stacking energy: -763.603
Base-Backbone interact. energy: -2.666
local terms energy: -891.969451
where:
bonds (distance) C4'-P energy: -162.901
bonds (distance) P-C4' energy: -191.243
flat angles C4'-P-C4' energy: -187.089
flat angles P-C4'-P energy: -122.558
tors. eta vs tors. theta energy: -228.180
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: 5
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -2572.856504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.856504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2572.856504 (E_RNA)
where:
Base-Base interactions energy: -1709.491
where: short stacking energy: -749.633
Base-Backbone interact. energy: -5.499
local terms energy: -857.867062
where:
bonds (distance) C4'-P energy: -158.768
bonds (distance) P-C4' energy: -169.095
flat angles C4'-P-C4' energy: -185.189
flat angles P-C4'-P energy: -122.270
tors. eta vs tors. theta energy: -222.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -2489.998954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2489.998954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2489.998954 (E_RNA)
where:
Base-Base interactions energy: -1650.170
where: short stacking energy: -759.905
Base-Backbone interact. energy: -4.117
local terms energy: -835.712614
where:
bonds (distance) C4'-P energy: -150.139
bonds (distance) P-C4' energy: -158.440
flat angles C4'-P-C4' energy: -186.775
flat angles P-C4'-P energy: -116.246
tors. eta vs tors. theta energy: -224.113
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: 1
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -2330.140166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2330.140166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2330.140166 (E_RNA)
where:
Base-Base interactions energy: -1547.323
where: short stacking energy: -623.650
Base-Backbone interact. energy: 1.609
local terms energy: -784.426278
where:
bonds (distance) C4'-P energy: -151.610
bonds (distance) P-C4' energy: -148.035
flat angles C4'-P-C4' energy: -172.667
flat angles P-C4'-P energy: -127.099
tors. eta vs tors. theta energy: -185.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -2085.901326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.901326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.901326 (E_RNA)
where:
Base-Base interactions energy: -1368.748
where: short stacking energy: -598.441
Base-Backbone interact. energy: 4.382
local terms energy: -721.535864
where:
bonds (distance) C4'-P energy: -141.601
bonds (distance) P-C4' energy: -167.026
flat angles C4'-P-C4' energy: -173.661
flat angles P-C4'-P energy: -79.997
tors. eta vs tors. theta energy: -159.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -1566.914483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.914483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.914483 (E_RNA)
where:
Base-Base interactions energy: -940.063
where: short stacking energy: -425.906
Base-Backbone interact. energy: -2.217
local terms energy: -624.635184
where:
bonds (distance) C4'-P energy: -179.996
bonds (distance) P-C4' energy: -126.970
flat angles C4'-P-C4' energy: -152.528
flat angles P-C4'-P energy: -95.281
tors. eta vs tors. theta energy: -69.860
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: 8
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -1381.307483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.307483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.307483 (E_RNA)
where:
Base-Base interactions energy: -806.086
where: short stacking energy: -399.241
Base-Backbone interact. energy: -3.616
local terms energy: -571.605685
where:
bonds (distance) C4'-P energy: -131.983
bonds (distance) P-C4' energy: -148.688
flat angles C4'-P-C4' energy: -145.245
flat angles P-C4'-P energy: -77.546
tors. eta vs tors. theta energy: -68.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -976.415577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.415577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.415577 (E_RNA)
where:
Base-Base interactions energy: -464.439
where: short stacking energy: -263.509
Base-Backbone interact. energy: -3.188
local terms energy: -508.789075
where:
bonds (distance) C4'-P energy: -150.722
bonds (distance) P-C4' energy: -163.389
flat angles C4'-P-C4' energy: -111.297
flat angles P-C4'-P energy: -81.493
tors. eta vs tors. theta energy: -1.889
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: 10, replica: 4
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -733.014525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.014525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.014525 (E_RNA)
where:
Base-Base interactions energy: -337.340
where: short stacking energy: -186.049
Base-Backbone interact. energy: -2.174
local terms energy: -393.500623
where:
bonds (distance) C4'-P energy: -102.688
bonds (distance) P-C4' energy: -157.377
flat angles C4'-P-C4' energy: -116.009
flat angles P-C4'-P energy: -58.480
tors. eta vs tors. theta energy: 41.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -3051.367418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3051.367418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3051.367418 (E_RNA)
where:
Base-Base interactions energy: -2066.070
where: short stacking energy: -905.317
Base-Backbone interact. energy: -2.177
local terms energy: -983.120831
where:
bonds (distance) C4'-P energy: -178.366
bonds (distance) P-C4' energy: -180.251
flat angles C4'-P-C4' energy: -212.595
flat angles P-C4'-P energy: -130.893
tors. eta vs tors. theta energy: -281.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -2798.769880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2798.769880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2798.769880 (E_RNA)
where:
Base-Base interactions energy: -1933.363
where: short stacking energy: -760.186
Base-Backbone interact. energy: -3.577
local terms energy: -861.829745
where:
bonds (distance) C4'-P energy: -162.147
bonds (distance) P-C4' energy: -184.328
flat angles C4'-P-C4' energy: -176.984
flat angles P-C4'-P energy: -116.092
tors. eta vs tors. theta energy: -222.278
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: 5
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -2556.382530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2556.382530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2556.382530 (E_RNA)
where:
Base-Base interactions energy: -1685.253
where: short stacking energy: -747.867
Base-Backbone interact. energy: -3.295
local terms energy: -867.835062
where:
bonds (distance) C4'-P energy: -154.497
bonds (distance) P-C4' energy: -173.826
flat angles C4'-P-C4' energy: -197.455
flat angles P-C4'-P energy: -119.955
tors. eta vs tors. theta energy: -222.102
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: 4, replica: 10
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -2518.326929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2518.326929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2518.326929 (E_RNA)
where:
Base-Base interactions energy: -1647.641
where: short stacking energy: -704.406
Base-Backbone interact. energy: -4.558
local terms energy: -866.127477
where:
bonds (distance) C4'-P energy: -162.887
bonds (distance) P-C4' energy: -169.080
flat angles C4'-P-C4' energy: -193.130
flat angles P-C4'-P energy: -128.903
tors. eta vs tors. theta energy: -212.128
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: 5, replica: 1
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -2423.034633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2423.034633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2423.034633 (E_RNA)
where:
Base-Base interactions energy: -1632.666
where: short stacking energy: -657.984
Base-Backbone interact. energy: -4.643
local terms energy: -785.726451
where:
bonds (distance) C4'-P energy: -154.894
bonds (distance) P-C4' energy: -176.000
flat angles C4'-P-C4' energy: -177.764
flat angles P-C4'-P energy: -102.909
tors. eta vs tors. theta energy: -174.159
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: 6
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -2092.802962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.802962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.802962 (E_RNA)
where:
Base-Base interactions energy: -1372.943
where: short stacking energy: -585.332
Base-Backbone interact. energy: -4.873
local terms energy: -715.760747
where:
bonds (distance) C4'-P energy: -126.515
bonds (distance) P-C4' energy: -148.521
flat angles C4'-P-C4' energy: -159.980
flat angles P-C4'-P energy: -114.615
tors. eta vs tors. theta energy: -166.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.773 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -1511.752196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.752196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.752196 (E_RNA)
where:
Base-Base interactions energy: -871.879
where: short stacking energy: -431.209
Base-Backbone interact. energy: -2.818
local terms energy: -637.055319
where:
bonds (distance) C4'-P energy: -140.047
bonds (distance) P-C4' energy: -165.833
flat angles C4'-P-C4' energy: -149.778
flat angles P-C4'-P energy: -93.573
tors. eta vs tors. theta energy: -87.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -1270.892531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.892531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.892531 (E_RNA)
where:
Base-Base interactions energy: -721.566
where: short stacking energy: -356.093
Base-Backbone interact. energy: 9.186
local terms energy: -558.512985
where:
bonds (distance) C4'-P energy: -139.666
bonds (distance) P-C4' energy: -148.753
flat angles C4'-P-C4' energy: -145.973
flat angles P-C4'-P energy: -104.193
tors. eta vs tors. theta energy: -19.928
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: 198
Temperature: 1.300000
Total energy: -983.005750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.005750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.005750 (E_RNA)
where:
Base-Base interactions energy: -458.636
where: short stacking energy: -281.100
Base-Backbone interact. energy: -1.373
local terms energy: -522.996838
where:
bonds (distance) C4'-P energy: -140.232
bonds (distance) P-C4' energy: -148.677
flat angles C4'-P-C4' energy: -127.836
flat angles P-C4'-P energy: -88.707
tors. eta vs tors. theta energy: -17.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -817.011467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.011467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.011467 (E_RNA)
where:
Base-Base interactions energy: -344.198
where: short stacking energy: -237.396
Base-Backbone interact. energy: -1.622
local terms energy: -471.191259
where:
bonds (distance) C4'-P energy: -135.714
bonds (distance) P-C4' energy: -146.594
flat angles C4'-P-C4' energy: -115.373
flat angles P-C4'-P energy: -96.617
tors. eta vs tors. theta energy: 23.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -3000.718555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3000.718555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3000.718555 (E_RNA)
where:
Base-Base interactions energy: -2074.784
where: short stacking energy: -888.099
Base-Backbone interact. energy: -0.825
local terms energy: -925.109320
where:
bonds (distance) C4'-P energy: -149.442
bonds (distance) P-C4' energy: -172.562
flat angles C4'-P-C4' energy: -193.516
flat angles P-C4'-P energy: -129.029
tors. eta vs tors. theta energy: -280.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -2800.073795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2800.073795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2800.073795 (E_RNA)
where:
Base-Base interactions energy: -1918.914
where: short stacking energy: -752.285
Base-Backbone interact. energy: -2.137
local terms energy: -879.022837
where:
bonds (distance) C4'-P energy: -160.903
bonds (distance) P-C4' energy: -187.155
flat angles C4'-P-C4' energy: -187.515
flat angles P-C4'-P energy: -135.333
tors. eta vs tors. theta energy: -208.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -2644.754752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2644.754752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2644.754752 (E_RNA)
where:
Base-Base interactions energy: -1785.625
where: short stacking energy: -749.358
Base-Backbone interact. energy: 4.147
local terms energy: -863.276958
where:
bonds (distance) C4'-P energy: -146.604
bonds (distance) P-C4' energy: -177.243
flat angles C4'-P-C4' energy: -196.752
flat angles P-C4'-P energy: -124.059
tors. eta vs tors. theta energy: -218.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -2555.470078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2555.470078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2555.470078 (E_RNA)
where:
Base-Base interactions energy: -1691.725
where: short stacking energy: -751.215
Base-Backbone interact. energy: -0.489
local terms energy: -863.256068
where:
bonds (distance) C4'-P energy: -164.644
bonds (distance) P-C4' energy: -170.779
flat angles C4'-P-C4' energy: -188.959
flat angles P-C4'-P energy: -115.407
tors. eta vs tors. theta energy: -223.467
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: 1
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -2320.469207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2320.469207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2320.469207 (E_RNA)
where:
Base-Base interactions energy: -1591.441
where: short stacking energy: -648.831
Base-Backbone interact. energy: -6.775
local terms energy: -722.253550
where:
bonds (distance) C4'-P energy: -150.646
bonds (distance) P-C4' energy: -150.026
flat angles C4'-P-C4' energy: -171.231
flat angles P-C4'-P energy: -95.742
tors. eta vs tors. theta energy: -154.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -2095.890649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.890649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.890649 (E_RNA)
where:
Base-Base interactions energy: -1361.257
where: short stacking energy: -592.424
Base-Backbone interact. energy: -3.733
local terms energy: -730.900425
where:
bonds (distance) C4'-P energy: -143.504
bonds (distance) P-C4' energy: -162.569
flat angles C4'-P-C4' energy: -167.035
flat angles P-C4'-P energy: -93.916
tors. eta vs tors. theta energy: -163.876
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: 7, replica: 9
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -1517.751653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.751653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.751653 (E_RNA)
where:
Base-Base interactions energy: -887.606
where: short stacking energy: -413.056
Base-Backbone interact. energy: -3.093
local terms energy: -627.053074
where:
bonds (distance) C4'-P energy: -127.859
bonds (distance) P-C4' energy: -170.112
flat angles C4'-P-C4' energy: -168.475
flat angles P-C4'-P energy: -92.296
tors. eta vs tors. theta energy: -68.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -1312.617096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.617096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.617096 (E_RNA)
where:
Base-Base interactions energy: -754.231
where: short stacking energy: -370.179
Base-Backbone interact. energy: -2.321
local terms energy: -556.065250
where:
bonds (distance) C4'-P energy: -132.354
bonds (distance) P-C4' energy: -142.465
flat angles C4'-P-C4' energy: -141.803
flat angles P-C4'-P energy: -76.528
tors. eta vs tors. theta energy: -62.915
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: 199
Temperature: 1.300000
Total energy: -1037.846454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.846454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.846454 (E_RNA)
where:
Base-Base interactions energy: -531.641
where: short stacking energy: -298.459
Base-Backbone interact. energy: 3.350
local terms energy: -509.555245
where:
bonds (distance) C4'-P energy: -148.689
bonds (distance) P-C4' energy: -119.975
flat angles C4'-P-C4' energy: -137.522
flat angles P-C4'-P energy: -82.239
tors. eta vs tors. theta energy: -21.131
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: 10, replica: 4
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -770.867268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.867268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.867268 (E_RNA)
where:
Base-Base interactions energy: -318.141
where: short stacking energy: -206.450
Base-Backbone interact. energy: 2.221
local terms energy: -454.947259
where:
bonds (distance) C4'-P energy: -139.781
bonds (distance) P-C4' energy: -157.652
flat angles C4'-P-C4' energy: -128.290
flat angles P-C4'-P energy: -49.361
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: 1, replica: 7
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -3033.457371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3033.457371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3033.457371 (E_RNA)
where:
Base-Base interactions energy: -2068.472
where: short stacking energy: -887.865
Base-Backbone interact. energy: 6.194
local terms energy: -971.179164
where:
bonds (distance) C4'-P energy: -191.751
bonds (distance) P-C4' energy: -184.907
flat angles C4'-P-C4' energy: -213.287
flat angles P-C4'-P energy: -118.912
tors. eta vs tors. theta energy: -262.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -2821.314199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2821.314199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2821.314199 (E_RNA)
where:
Base-Base interactions energy: -1928.745
where: short stacking energy: -783.357
Base-Backbone interact. energy: -3.608
local terms energy: -888.960957
where:
bonds (distance) C4'-P energy: -181.100
bonds (distance) P-C4' energy: -173.103
flat angles C4'-P-C4' energy: -190.221
flat angles P-C4'-P energy: -129.817
tors. eta vs tors. theta energy: -214.721
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: 5
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -2633.865719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2633.865719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2633.865719 (E_RNA)
where:
Base-Base interactions energy: -1766.305
where: short stacking energy: -720.367
Base-Backbone interact. energy: -1.581
local terms energy: -865.979852
where:
bonds (distance) C4'-P energy: -170.552
bonds (distance) P-C4' energy: -166.839
flat angles C4'-P-C4' energy: -196.654
flat angles P-C4'-P energy: -116.595
tors. eta vs tors. theta energy: -215.340
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: 10
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -2565.219340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2565.219340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2565.219340 (E_RNA)
where:
Base-Base interactions energy: -1707.627
where: short stacking energy: -772.197
Base-Backbone interact. energy: -0.530
local terms energy: -857.061826
where:
bonds (distance) C4'-P energy: -177.254
bonds (distance) P-C4' energy: -146.043
flat angles C4'-P-C4' energy: -191.602
flat angles P-C4'-P energy: -113.447
tors. eta vs tors. theta energy: -228.715
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: 5, replica: 1
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -2363.490494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2363.490494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2363.490494 (E_RNA)
where:
Base-Base interactions energy: -1565.673
where: short stacking energy: -652.164
Base-Backbone interact. energy: -7.256
local terms energy: -790.561111
where:
bonds (distance) C4'-P energy: -150.175
bonds (distance) P-C4' energy: -161.893
flat angles C4'-P-C4' energy: -168.334
flat angles P-C4'-P energy: -120.434
tors. eta vs tors. theta energy: -189.726
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: 6, replica: 6
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -2049.388765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2049.388765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.388765 (E_RNA)
where:
Base-Base interactions energy: -1327.618
where: short stacking energy: -560.519
Base-Backbone interact. energy: -2.839
local terms energy: -718.932192
where:
bonds (distance) C4'-P energy: -146.361
bonds (distance) P-C4' energy: -161.117
flat angles C4'-P-C4' energy: -162.655
flat angles P-C4'-P energy: -113.429
tors. eta vs tors. theta energy: -135.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -1478.794232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.794232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.794232 (E_RNA)
where:
Base-Base interactions energy: -864.704
where: short stacking energy: -431.178
Base-Backbone interact. energy: 2.431
local terms energy: -616.522063
where:
bonds (distance) C4'-P energy: -152.944
bonds (distance) P-C4' energy: -166.024
flat angles C4'-P-C4' energy: -140.930
flat angles P-C4'-P energy: -78.988
tors. eta vs tors. theta energy: -77.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -1312.169650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.169650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.169650 (E_RNA)
where:
Base-Base interactions energy: -760.217
where: short stacking energy: -354.392
Base-Backbone interact. energy: -0.809
local terms energy: -551.143646
where:
bonds (distance) C4'-P energy: -111.103
bonds (distance) P-C4' energy: -171.723
flat angles C4'-P-C4' energy: -154.394
flat angles P-C4'-P energy: -80.956
tors. eta vs tors. theta energy: -32.968
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: 200
Temperature: 1.300000
Total energy: -982.546096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.546096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.546096 (E_RNA)
where:
Base-Base interactions energy: -540.715
where: short stacking energy: -313.820
Base-Backbone interact. energy: 2.902
local terms energy: -444.733034
where:
bonds (distance) C4'-P energy: -120.678
bonds (distance) P-C4' energy: -135.091
flat angles C4'-P-C4' energy: -114.229
flat angles P-C4'-P energy: -56.692
tors. eta vs tors. theta energy: -18.043
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: 4
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -829.429581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.429581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.429581 (E_RNA)
where:
Base-Base interactions energy: -408.519
where: short stacking energy: -217.793
Base-Backbone interact. energy: 0.138
local terms energy: -421.048199
where:
bonds (distance) C4'-P energy: -134.081
bonds (distance) P-C4' energy: -138.135
flat angles C4'-P-C4' energy: -109.916
flat angles P-C4'-P energy: -66.069
tors. eta vs tors. theta energy: 27.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -3024.491816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3024.491816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3024.491816 (E_RNA)
where:
Base-Base interactions energy: -2040.076
where: short stacking energy: -869.125
Base-Backbone interact. energy: -3.091
local terms energy: -981.325049
where:
bonds (distance) C4'-P energy: -168.192
bonds (distance) P-C4' energy: -180.854
flat angles C4'-P-C4' energy: -219.461
flat angles P-C4'-P energy: -131.222
tors. eta vs tors. theta energy: -281.595
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: 3
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -2786.338635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2786.338635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2786.338635 (E_RNA)
where:
Base-Base interactions energy: -1911.706
where: short stacking energy: -789.049
Base-Backbone interact. energy: 0.618
local terms energy: -875.250402
where:
bonds (distance) C4'-P energy: -171.607
bonds (distance) P-C4' energy: -185.178
flat angles C4'-P-C4' energy: -185.886
flat angles P-C4'-P energy: -114.942
tors. eta vs tors. theta energy: -217.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -2615.012292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2615.012292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2615.012292 (E_RNA)
where:
Base-Base interactions energy: -1766.096
where: short stacking energy: -741.219
Base-Backbone interact. energy: -2.818
local terms energy: -846.098081
where:
bonds (distance) C4'-P energy: -160.434
bonds (distance) P-C4' energy: -157.083
flat angles C4'-P-C4' energy: -190.437
flat angles P-C4'-P energy: -128.890
tors. eta vs tors. theta energy: -209.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -2549.524110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2549.524110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2549.524110 (E_RNA)
where:
Base-Base interactions energy: -1712.636
where: short stacking energy: -752.471
Base-Backbone interact. energy: -3.546
local terms energy: -833.341955
where:
bonds (distance) C4'-P energy: -152.641
bonds (distance) P-C4' energy: -163.868
flat angles C4'-P-C4' energy: -180.298
flat angles P-C4'-P energy: -107.335
tors. eta vs tors. theta energy: -229.199
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: 1
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -2338.349543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.349543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2338.349543 (E_RNA)
where:
Base-Base interactions energy: -1548.899
where: short stacking energy: -636.232
Base-Backbone interact. energy: -2.444
local terms energy: -787.005710
where:
bonds (distance) C4'-P energy: -148.974
bonds (distance) P-C4' energy: -177.480
flat angles C4'-P-C4' energy: -168.014
flat angles P-C4'-P energy: -119.589
tors. eta vs tors. theta energy: -172.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -2060.510298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.510298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.510298 (E_RNA)
where:
Base-Base interactions energy: -1323.962
where: short stacking energy: -566.501
Base-Backbone interact. energy: -3.523
local terms energy: -733.295807
where:
bonds (distance) C4'-P energy: -148.288
bonds (distance) P-C4' energy: -163.375
flat angles C4'-P-C4' energy: -165.494
flat angles P-C4'-P energy: -108.934
tors. eta vs tors. theta energy: -147.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.271 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -1624.206038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.206038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.206038 (E_RNA)
where:
Base-Base interactions energy: -974.550
where: short stacking energy: -476.071
Base-Backbone interact. energy: -1.683
local terms energy: -647.973102
where:
bonds (distance) C4'-P energy: -135.002
bonds (distance) P-C4' energy: -164.548
flat angles C4'-P-C4' energy: -160.262
flat angles P-C4'-P energy: -95.418
tors. eta vs tors. theta energy: -92.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -1290.115313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.115313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.115313 (E_RNA)
where:
Base-Base interactions energy: -714.689
where: short stacking energy: -346.720
Base-Backbone interact. energy: -1.319
local terms energy: -574.106911
where:
bonds (distance) C4'-P energy: -149.604
bonds (distance) P-C4' energy: -165.462
flat angles C4'-P-C4' energy: -153.344
flat angles P-C4'-P energy: -73.840
tors. eta vs tors. theta energy: -31.856
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: 201
Temperature: 1.300000
Total energy: -1019.540873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.540873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.540873 (E_RNA)
where:
Base-Base interactions energy: -522.133
where: short stacking energy: -307.132
Base-Backbone interact. energy: 2.736
local terms energy: -500.144263
where:
bonds (distance) C4'-P energy: -143.313
bonds (distance) P-C4' energy: -158.766
flat angles C4'-P-C4' energy: -109.069
flat angles P-C4'-P energy: -71.617
tors. eta vs tors. theta energy: -17.378
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: 4
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -812.904080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.904080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.904080 (E_RNA)
where:
Base-Base interactions energy: -352.472
where: short stacking energy: -222.305
Base-Backbone interact. energy: 10.529
local terms energy: -470.961109
where:
bonds (distance) C4'-P energy: -134.567
bonds (distance) P-C4' energy: -158.937
flat angles C4'-P-C4' energy: -108.650
flat angles P-C4'-P energy: -72.395
tors. eta vs tors. theta energy: 3.588
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: 1, replica: 7
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -3028.971861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3028.971861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3028.971861 (E_RNA)
where:
Base-Base interactions energy: -2057.144
where: short stacking energy: -851.653
Base-Backbone interact. energy: -6.402
local terms energy: -965.425112
where:
bonds (distance) C4'-P energy: -177.277
bonds (distance) P-C4' energy: -182.846
flat angles C4'-P-C4' energy: -197.721
flat angles P-C4'-P energy: -136.209
tors. eta vs tors. theta energy: -271.371
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: 2, replica: 3
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -2777.704849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2777.704849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2777.704849 (E_RNA)
where:
Base-Base interactions energy: -1880.926
where: short stacking energy: -788.734
Base-Backbone interact. energy: 2.829
local terms energy: -899.607346
where:
bonds (distance) C4'-P energy: -178.935
bonds (distance) P-C4' energy: -187.049
flat angles C4'-P-C4' energy: -194.409
flat angles P-C4'-P energy: -111.326
tors. eta vs tors. theta energy: -227.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -2645.008764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2645.008764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2645.008764 (E_RNA)
where:
Base-Base interactions energy: -1768.014
where: short stacking energy: -781.891
Base-Backbone interact. energy: -6.391
local terms energy: -870.604179
where:
bonds (distance) C4'-P energy: -163.734
bonds (distance) P-C4' energy: -169.243
flat angles C4'-P-C4' energy: -180.330
flat angles P-C4'-P energy: -129.373
tors. eta vs tors. theta energy: -227.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -2547.782850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2547.782850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2547.782850 (E_RNA)
where:
Base-Base interactions energy: -1697.675
where: short stacking energy: -764.050
Base-Backbone interact. energy: -0.464
local terms energy: -849.643190
where:
bonds (distance) C4'-P energy: -163.940
bonds (distance) P-C4' energy: -167.800
flat angles C4'-P-C4' energy: -180.714
flat angles P-C4'-P energy: -114.160
tors. eta vs tors. theta energy: -223.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -2374.705171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2374.705171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2374.705171 (E_RNA)
where:
Base-Base interactions energy: -1580.845
where: short stacking energy: -650.310
Base-Backbone interact. energy: 4.949
local terms energy: -798.809230
where:
bonds (distance) C4'-P energy: -156.004
bonds (distance) P-C4' energy: -159.724
flat angles C4'-P-C4' energy: -189.873
flat angles P-C4'-P energy: -106.153
tors. eta vs tors. theta energy: -187.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -2055.587366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.587366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.587366 (E_RNA)
where:
Base-Base interactions energy: -1340.369
where: short stacking energy: -597.334
Base-Backbone interact. energy: -1.252
local terms energy: -713.965818
where:
bonds (distance) C4'-P energy: -148.877
bonds (distance) P-C4' energy: -154.546
flat angles C4'-P-C4' energy: -176.000
flat angles P-C4'-P energy: -92.244
tors. eta vs tors. theta energy: -142.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -1508.300868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.300868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.300868 (E_RNA)
where:
Base-Base interactions energy: -895.088
where: short stacking energy: -453.583
Base-Backbone interact. energy: -1.532
local terms energy: -611.681428
where:
bonds (distance) C4'-P energy: -152.346
bonds (distance) P-C4' energy: -142.995
flat angles C4'-P-C4' energy: -139.067
flat angles P-C4'-P energy: -86.430
tors. eta vs tors. theta energy: -90.843
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: 8
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -1289.877445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.877445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.877445 (E_RNA)
where:
Base-Base interactions energy: -718.893
where: short stacking energy: -372.284
Base-Backbone interact. energy: 1.038
local terms energy: -572.023097
where:
bonds (distance) C4'-P energy: -134.339
bonds (distance) P-C4' energy: -153.321
flat angles C4'-P-C4' energy: -156.794
flat angles P-C4'-P energy: -87.738
tors. eta vs tors. theta energy: -39.831
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: 202
Temperature: 1.300000
Total energy: -987.042938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.042938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.042938 (E_RNA)
where:
Base-Base interactions energy: -477.719
where: short stacking energy: -290.787
Base-Backbone interact. energy: 5.309
local terms energy: -514.632118
where:
bonds (distance) C4'-P energy: -153.841
bonds (distance) P-C4' energy: -157.408
flat angles C4'-P-C4' energy: -115.097
flat angles P-C4'-P energy: -73.990
tors. eta vs tors. theta energy: -14.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -849.305528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.305528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.305528 (E_RNA)
where:
Base-Base interactions energy: -393.318
where: short stacking energy: -261.496
Base-Backbone interact. energy: 1.038
local terms energy: -457.025344
where:
bonds (distance) C4'-P energy: -112.863
bonds (distance) P-C4' energy: -126.516
flat angles C4'-P-C4' energy: -134.112
flat angles P-C4'-P energy: -69.119
tors. eta vs tors. theta energy: -14.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -2991.728508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2991.728508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2991.728508 (E_RNA)
where:
Base-Base interactions energy: -2024.276
where: short stacking energy: -855.349
Base-Backbone interact. energy: -1.923
local terms energy: -965.529022
where:
bonds (distance) C4'-P energy: -184.867
bonds (distance) P-C4' energy: -184.704
flat angles C4'-P-C4' energy: -199.316
flat angles P-C4'-P energy: -130.691
tors. eta vs tors. theta energy: -265.951
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: 3
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -2813.400303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2813.400303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2813.400303 (E_RNA)
where:
Base-Base interactions energy: -1935.787
where: short stacking energy: -763.003
Base-Backbone interact. energy: -3.558
local terms energy: -874.055483
where:
bonds (distance) C4'-P energy: -166.149
bonds (distance) P-C4' energy: -176.224
flat angles C4'-P-C4' energy: -199.647
flat angles P-C4'-P energy: -116.627
tors. eta vs tors. theta energy: -215.408
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: 203
Temperature: 1.000000
Total energy: -2636.740305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2636.740305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2636.740305 (E_RNA)
where:
Base-Base interactions energy: -1747.969
where: short stacking energy: -746.061
Base-Backbone interact. energy: -2.971
local terms energy: -885.800220
where:
bonds (distance) C4'-P energy: -156.187
bonds (distance) P-C4' energy: -176.213
flat angles C4'-P-C4' energy: -198.403
flat angles P-C4'-P energy: -126.198
tors. eta vs tors. theta energy: -228.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -2526.188516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2526.188516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2526.188516 (E_RNA)
where:
Base-Base interactions energy: -1670.532
where: short stacking energy: -748.063
Base-Backbone interact. energy: -5.056
local terms energy: -850.601129
where:
bonds (distance) C4'-P energy: -154.972
bonds (distance) P-C4' energy: -190.578
flat angles C4'-P-C4' energy: -184.790
flat angles P-C4'-P energy: -106.965
tors. eta vs tors. theta energy: -213.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -2325.070335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2325.070335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.070335 (E_RNA)
where:
Base-Base interactions energy: -1574.389
where: short stacking energy: -663.104
Base-Backbone interact. energy: -2.852
local terms energy: -747.829557
where:
bonds (distance) C4'-P energy: -140.668
bonds (distance) P-C4' energy: -163.732
flat angles C4'-P-C4' energy: -172.771
flat angles P-C4'-P energy: -106.532
tors. eta vs tors. theta energy: -164.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -2046.008988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.008988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2046.008988 (E_RNA)
where:
Base-Base interactions energy: -1290.926
where: short stacking energy: -595.848
Base-Backbone interact. energy: -5.136
local terms energy: -749.947611
where:
bonds (distance) C4'-P energy: -145.180
bonds (distance) P-C4' energy: -174.286
flat angles C4'-P-C4' energy: -151.615
flat angles P-C4'-P energy: -106.446
tors. eta vs tors. theta energy: -172.422
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: 9
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -1537.445665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.445665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.445665 (E_RNA)
where:
Base-Base interactions energy: -925.048
where: short stacking energy: -462.054
Base-Backbone interact. energy: -1.198
local terms energy: -613.552055
where:
bonds (distance) C4'-P energy: -145.730
bonds (distance) P-C4' energy: -140.213
flat angles C4'-P-C4' energy: -151.243
flat angles P-C4'-P energy: -73.380
tors. eta vs tors. theta energy: -102.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.352 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -1319.297311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.297311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.297311 (E_RNA)
where:
Base-Base interactions energy: -776.026
where: short stacking energy: -379.766
Base-Backbone interact. energy: -1.616
local terms energy: -541.655271
where:
bonds (distance) C4'-P energy: -145.937
bonds (distance) P-C4' energy: -139.428
flat angles C4'-P-C4' energy: -141.393
flat angles P-C4'-P energy: -82.661
tors. eta vs tors. theta energy: -32.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -971.459282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.459282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.459282 (E_RNA)
where:
Base-Base interactions energy: -461.498
where: short stacking energy: -282.907
Base-Backbone interact. energy: 2.386
local terms energy: -512.347702
where:
bonds (distance) C4'-P energy: -128.698
bonds (distance) P-C4' energy: -142.638
flat angles C4'-P-C4' energy: -121.710
flat angles P-C4'-P energy: -104.494
tors. eta vs tors. theta energy: -14.808
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: 4
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -808.452733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.452733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.452733 (E_RNA)
where:
Base-Base interactions energy: -370.389
where: short stacking energy: -219.534
Base-Backbone interact. energy: 3.594
local terms energy: -441.656869
where:
bonds (distance) C4'-P energy: -131.154
bonds (distance) P-C4' energy: -158.950
flat angles C4'-P-C4' energy: -108.699
flat angles P-C4'-P energy: -74.370
tors. eta vs tors. theta energy: 31.516
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: 7
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -3004.101553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3004.101553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3004.101553 (E_RNA)
where:
Base-Base interactions energy: -2063.991
where: short stacking energy: -901.002
Base-Backbone interact. energy: 3.903
local terms energy: -944.013055
where:
bonds (distance) C4'-P energy: -165.512
bonds (distance) P-C4' energy: -169.261
flat angles C4'-P-C4' energy: -205.048
flat angles P-C4'-P energy: -134.507
tors. eta vs tors. theta energy: -269.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -2778.095450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2778.095450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2778.095450 (E_RNA)
where:
Base-Base interactions energy: -1883.794
where: short stacking energy: -785.610
Base-Backbone interact. energy: 2.385
local terms energy: -896.686249
where:
bonds (distance) C4'-P energy: -176.323
bonds (distance) P-C4' energy: -177.423
flat angles C4'-P-C4' energy: -186.824
flat angles P-C4'-P energy: -133.058
tors. eta vs tors. theta energy: -223.058
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: 204
Temperature: 1.000000
Total energy: -2638.823373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2638.823373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2638.823373 (E_RNA)
where:
Base-Base interactions energy: -1757.617
where: short stacking energy: -781.513
Base-Backbone interact. energy: -2.419
local terms energy: -878.787286
where:
bonds (distance) C4'-P energy: -166.574
bonds (distance) P-C4' energy: -185.461
flat angles C4'-P-C4' energy: -190.347
flat angles P-C4'-P energy: -117.650
tors. eta vs tors. theta energy: -218.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -2515.168399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2515.168399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2515.168399 (E_RNA)
where:
Base-Base interactions energy: -1699.319
where: short stacking energy: -720.557
Base-Backbone interact. energy: -2.096
local terms energy: -813.753433
where:
bonds (distance) C4'-P energy: -143.184
bonds (distance) P-C4' energy: -138.603
flat angles C4'-P-C4' energy: -182.107
flat angles P-C4'-P energy: -128.975
tors. eta vs tors. theta energy: -220.884
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: 204
Temperature: 1.100000
Total energy: -2356.799209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.799209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2356.799209 (E_RNA)
where:
Base-Base interactions energy: -1602.319
where: short stacking energy: -648.549
Base-Backbone interact. energy: 4.631
local terms energy: -759.110864
where:
bonds (distance) C4'-P energy: -168.600
bonds (distance) P-C4' energy: -145.028
flat angles C4'-P-C4' energy: -166.011
flat angles P-C4'-P energy: -95.925
tors. eta vs tors. theta energy: -183.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -1974.108178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.108178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.108178 (E_RNA)
where:
Base-Base interactions energy: -1222.403
where: short stacking energy: -547.122
Base-Backbone interact. energy: -7.960
local terms energy: -743.745443
where:
bonds (distance) C4'-P energy: -158.046
bonds (distance) P-C4' energy: -177.251
flat angles C4'-P-C4' energy: -154.344
flat angles P-C4'-P energy: -113.168
tors. eta vs tors. theta energy: -140.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -1397.917233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.917233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.917233 (E_RNA)
where:
Base-Base interactions energy: -781.904
where: short stacking energy: -414.028
Base-Backbone interact. energy: 4.262
local terms energy: -620.275300
where:
bonds (distance) C4'-P energy: -147.968
bonds (distance) P-C4' energy: -170.739
flat angles C4'-P-C4' energy: -154.181
flat angles P-C4'-P energy: -94.569
tors. eta vs tors. theta energy: -52.818
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: 8, replica: 9
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -1417.573558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.573558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.573558 (E_RNA)
where:
Base-Base interactions energy: -839.022
where: short stacking energy: -397.394
Base-Backbone interact. energy: -0.891
local terms energy: -577.660653
where:
bonds (distance) C4'-P energy: -134.766
bonds (distance) P-C4' energy: -152.258
flat angles C4'-P-C4' energy: -134.840
flat angles P-C4'-P energy: -84.611
tors. eta vs tors. theta energy: -71.187
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: 9, replica: 2
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -917.937886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.937886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.937886 (E_RNA)
where:
Base-Base interactions energy: -421.828
where: short stacking energy: -247.938
Base-Backbone interact. energy: -2.912
local terms energy: -493.197813
where:
bonds (distance) C4'-P energy: -142.524
bonds (distance) P-C4' energy: -155.740
flat angles C4'-P-C4' energy: -125.752
flat angles P-C4'-P energy: -80.367
tors. eta vs tors. theta energy: 11.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -782.700882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.700882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.700882 (E_RNA)
where:
Base-Base interactions energy: -336.146
where: short stacking energy: -224.000
Base-Backbone interact. energy: 2.398
local terms energy: -448.952816
where:
bonds (distance) C4'-P energy: -139.303
bonds (distance) P-C4' energy: -133.694
flat angles C4'-P-C4' energy: -99.535
flat angles P-C4'-P energy: -76.474
tors. eta vs tors. theta energy: 0.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -3026.313821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3026.313821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3026.313821 (E_RNA)
where:
Base-Base interactions energy: -2055.460
where: short stacking energy: -876.716
Base-Backbone interact. energy: 0.259
local terms energy: -971.112389
where:
bonds (distance) C4'-P energy: -174.464
bonds (distance) P-C4' energy: -178.253
flat angles C4'-P-C4' energy: -198.657
flat angles P-C4'-P energy: -135.738
tors. eta vs tors. theta energy: -284.000
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: 3
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -2791.211795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2791.211795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2791.211795 (E_RNA)
where:
Base-Base interactions energy: -1941.396
where: short stacking energy: -796.074
Base-Backbone interact. energy: -4.638
local terms energy: -845.177929
where:
bonds (distance) C4'-P energy: -165.791
bonds (distance) P-C4' energy: -172.166
flat angles C4'-P-C4' energy: -185.225
flat angles P-C4'-P energy: -124.057
tors. eta vs tors. theta energy: -197.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -2624.316307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2624.316307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2624.316307 (E_RNA)
where:
Base-Base interactions energy: -1755.904
where: short stacking energy: -786.186
Base-Backbone interact. energy: 0.851
local terms energy: -869.263945
where:
bonds (distance) C4'-P energy: -163.365
bonds (distance) P-C4' energy: -154.307
flat angles C4'-P-C4' energy: -191.649
flat angles P-C4'-P energy: -129.488
tors. eta vs tors. theta energy: -230.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -2585.584593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2585.584593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2585.584593 (E_RNA)
where:
Base-Base interactions energy: -1719.274
where: short stacking energy: -725.786
Base-Backbone interact. energy: -1.308
local terms energy: -865.002378
where:
bonds (distance) C4'-P energy: -171.252
bonds (distance) P-C4' energy: -172.022
flat angles C4'-P-C4' energy: -186.118
flat angles P-C4'-P energy: -118.034
tors. eta vs tors. theta energy: -217.575
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: 1
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -2273.668972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2273.668972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2273.668972 (E_RNA)
where:
Base-Base interactions energy: -1496.038
where: short stacking energy: -644.097
Base-Backbone interact. energy: -0.401
local terms energy: -777.229874
where:
bonds (distance) C4'-P energy: -162.857
bonds (distance) P-C4' energy: -165.252
flat angles C4'-P-C4' energy: -168.306
flat angles P-C4'-P energy: -93.062
tors. eta vs tors. theta energy: -187.752
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: 6, replica: 6
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -2010.279359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.279359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.279359 (E_RNA)
where:
Base-Base interactions energy: -1303.767
where: short stacking energy: -544.608
Base-Backbone interact. energy: -0.134
local terms energy: -706.420053
where:
bonds (distance) C4'-P energy: -158.921
bonds (distance) P-C4' energy: -148.749
flat angles C4'-P-C4' energy: -168.736
flat angles P-C4'-P energy: -108.411
tors. eta vs tors. theta energy: -121.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.042 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -1420.784650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.784650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.784650 (E_RNA)
where:
Base-Base interactions energy: -818.298
where: short stacking energy: -396.497
Base-Backbone interact. energy: -2.440
local terms energy: -600.046930
where:
bonds (distance) C4'-P energy: -162.367
bonds (distance) P-C4' energy: -158.589
flat angles C4'-P-C4' energy: -150.661
flat angles P-C4'-P energy: -74.729
tors. eta vs tors. theta energy: -53.701
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: 9
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -1325.201213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.201213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.201213 (E_RNA)
where:
Base-Base interactions energy: -741.480
where: short stacking energy: -375.961
Base-Backbone interact. energy: 1.528
local terms energy: -585.249366
where:
bonds (distance) C4'-P energy: -139.763
bonds (distance) P-C4' energy: -153.941
flat angles C4'-P-C4' energy: -145.466
flat angles P-C4'-P energy: -79.540
tors. eta vs tors. theta energy: -66.538
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: 205
Temperature: 1.300000
Total energy: -1036.307203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.307203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.307203 (E_RNA)
where:
Base-Base interactions energy: -519.121
where: short stacking energy: -303.543
Base-Backbone interact. energy: 4.144
local terms energy: -521.330384
where:
bonds (distance) C4'-P energy: -146.282
bonds (distance) P-C4' energy: -153.212
flat angles C4'-P-C4' energy: -127.889
flat angles P-C4'-P energy: -73.042
tors. eta vs tors. theta energy: -20.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -788.218789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.218789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.218789 (E_RNA)
where:
Base-Base interactions energy: -345.713
where: short stacking energy: -232.295
Base-Backbone interact. energy: 4.460
local terms energy: -446.965221
where:
bonds (distance) C4'-P energy: -146.335
bonds (distance) P-C4' energy: -145.217
flat angles C4'-P-C4' energy: -111.590
flat angles P-C4'-P energy: -62.175
tors. eta vs tors. theta energy: 18.351
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: 7
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -3006.139620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3006.139620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3006.139620 (E_RNA)
where:
Base-Base interactions energy: -2052.583
where: short stacking energy: -862.455
Base-Backbone interact. energy: 0.648
local terms energy: -954.204951
where:
bonds (distance) C4'-P energy: -171.363
bonds (distance) P-C4' energy: -188.761
flat angles C4'-P-C4' energy: -197.786
flat angles P-C4'-P energy: -128.633
tors. eta vs tors. theta energy: -267.661
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: 3
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -2784.141084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2784.141084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2784.141084 (E_RNA)
where:
Base-Base interactions energy: -1930.630
where: short stacking energy: -766.404
Base-Backbone interact. energy: -3.290
local terms energy: -850.220701
where:
bonds (distance) C4'-P energy: -169.693
bonds (distance) P-C4' energy: -166.296
flat angles C4'-P-C4' energy: -171.109
flat angles P-C4'-P energy: -128.607
tors. eta vs tors. theta energy: -214.515
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: 3, replica: 10
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -2640.102639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2640.102639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2640.102639 (E_RNA)
where:
Base-Base interactions energy: -1748.687
where: short stacking energy: -786.121
Base-Backbone interact. energy: 0.340
local terms energy: -891.755110
where:
bonds (distance) C4'-P energy: -178.094
bonds (distance) P-C4' energy: -165.568
flat angles C4'-P-C4' energy: -195.489
flat angles P-C4'-P energy: -128.252
tors. eta vs tors. theta energy: -224.353
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: 5
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -2537.783728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2537.783728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2537.783728 (E_RNA)
where:
Base-Base interactions energy: -1727.095
where: short stacking energy: -737.223
Base-Backbone interact. energy: 1.231
local terms energy: -811.920076
where:
bonds (distance) C4'-P energy: -158.030
bonds (distance) P-C4' energy: -162.033
flat angles C4'-P-C4' energy: -176.620
flat angles P-C4'-P energy: -98.269
tors. eta vs tors. theta energy: -216.966
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: 1
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -2337.766589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2337.766589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2337.766589 (E_RNA)
where:
Base-Base interactions energy: -1548.435
where: short stacking energy: -685.531
Base-Backbone interact. energy: -3.362
local terms energy: -785.970204
where:
bonds (distance) C4'-P energy: -142.534
bonds (distance) P-C4' energy: -163.854
flat angles C4'-P-C4' energy: -173.061
flat angles P-C4'-P energy: -119.579
tors. eta vs tors. theta energy: -186.943
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: 6
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -2026.265168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.265168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.265168 (E_RNA)
where:
Base-Base interactions energy: -1299.867
where: short stacking energy: -555.486
Base-Backbone interact. energy: -0.463
local terms energy: -725.934443
where:
bonds (distance) C4'-P energy: -159.557
bonds (distance) P-C4' energy: -150.936
flat angles C4'-P-C4' energy: -170.641
flat angles P-C4'-P energy: -93.202
tors. eta vs tors. theta energy: -151.598
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: 7, replica: 9
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -1464.440282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.440282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1464.440282 (E_RNA)
where:
Base-Base interactions energy: -920.566
where: short stacking energy: -409.706
Base-Backbone interact. energy: 2.274
local terms energy: -546.148088
where:
bonds (distance) C4'-P energy: -118.463
bonds (distance) P-C4' energy: -156.039
flat angles C4'-P-C4' energy: -132.256
flat angles P-C4'-P energy: -75.167
tors. eta vs tors. theta energy: -64.224
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: 206
Temperature: 1.250000
Total energy: -1349.374621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.374621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.374621 (E_RNA)
where:
Base-Base interactions energy: -735.917
where: short stacking energy: -369.215
Base-Backbone interact. energy: 3.420
local terms energy: -616.877608
where:
bonds (distance) C4'-P energy: -153.687
bonds (distance) P-C4' energy: -162.256
flat angles C4'-P-C4' energy: -153.884
flat angles P-C4'-P energy: -106.750
tors. eta vs tors. theta energy: -40.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -956.159220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.159220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.159220 (E_RNA)
where:
Base-Base interactions energy: -435.341
where: short stacking energy: -263.210
Base-Backbone interact. energy: -1.643
local terms energy: -519.175890
where:
bonds (distance) C4'-P energy: -129.305
bonds (distance) P-C4' energy: -166.820
flat angles C4'-P-C4' energy: -129.345
flat angles P-C4'-P energy: -68.714
tors. eta vs tors. theta energy: -24.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -811.549050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.549050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.549050 (E_RNA)
where:
Base-Base interactions energy: -368.916
where: short stacking energy: -224.883
Base-Backbone interact. energy: 0.825
local terms energy: -443.457724
where:
bonds (distance) C4'-P energy: -128.592
bonds (distance) P-C4' energy: -139.715
flat angles C4'-P-C4' energy: -109.267
flat angles P-C4'-P energy: -87.730
tors. eta vs tors. theta energy: 21.846
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: 7
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -3025.995635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3025.995635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3025.995635 (E_RNA)
where:
Base-Base interactions energy: -2071.565
where: short stacking energy: -884.610
Base-Backbone interact. energy: 0.392
local terms energy: -954.822893
where:
bonds (distance) C4'-P energy: -175.102
bonds (distance) P-C4' energy: -180.146
flat angles C4'-P-C4' energy: -202.338
flat angles P-C4'-P energy: -127.667
tors. eta vs tors. theta energy: -269.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -2779.398886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2779.398886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2779.398886 (E_RNA)
where:
Base-Base interactions energy: -1902.999
where: short stacking energy: -775.256
Base-Backbone interact. energy: 0.186
local terms energy: -876.586050
where:
bonds (distance) C4'-P energy: -160.881
bonds (distance) P-C4' energy: -166.591
flat angles C4'-P-C4' energy: -197.430
flat angles P-C4'-P energy: -137.177
tors. eta vs tors. theta energy: -214.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -2666.068412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2666.068412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2666.068412 (E_RNA)
where:
Base-Base interactions energy: -1795.806
where: short stacking energy: -787.242
Base-Backbone interact. energy: -1.095
local terms energy: -869.167135
where:
bonds (distance) C4'-P energy: -158.729
bonds (distance) P-C4' energy: -165.431
flat angles C4'-P-C4' energy: -184.242
flat angles P-C4'-P energy: -139.121
tors. eta vs tors. theta energy: -221.644
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: 4, replica: 5
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -2497.113852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2497.113852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2497.113852 (E_RNA)
where:
Base-Base interactions energy: -1668.643
where: short stacking energy: -717.611
Base-Backbone interact. energy: -3.738
local terms energy: -824.732665
where:
bonds (distance) C4'-P energy: -156.014
bonds (distance) P-C4' energy: -168.288
flat angles C4'-P-C4' energy: -167.697
flat angles P-C4'-P energy: -123.128
tors. eta vs tors. theta energy: -209.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -2321.562375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2321.562375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2321.562375 (E_RNA)
where:
Base-Base interactions energy: -1562.070
where: short stacking energy: -629.668
Base-Backbone interact. energy: 6.079
local terms energy: -765.571280
where:
bonds (distance) C4'-P energy: -169.292
bonds (distance) P-C4' energy: -140.147
flat angles C4'-P-C4' energy: -179.435
flat angles P-C4'-P energy: -93.408
tors. eta vs tors. theta energy: -183.288
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: 6
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -1974.098600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.098600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.098600 (E_RNA)
where:
Base-Base interactions energy: -1288.593
where: short stacking energy: -564.361
Base-Backbone interact. energy: -0.910
local terms energy: -684.595535
where:
bonds (distance) C4'-P energy: -131.054
bonds (distance) P-C4' energy: -174.558
flat angles C4'-P-C4' energy: -146.264
flat angles P-C4'-P energy: -106.262
tors. eta vs tors. theta energy: -126.459
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: 7, replica: 9
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -1467.111393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.111393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.111393 (E_RNA)
where:
Base-Base interactions energy: -859.187
where: short stacking energy: -406.282
Base-Backbone interact. energy: -0.341
local terms energy: -607.583576
where:
bonds (distance) C4'-P energy: -149.605
bonds (distance) P-C4' energy: -156.061
flat angles C4'-P-C4' energy: -146.619
flat angles P-C4'-P energy: -80.916
tors. eta vs tors. theta energy: -74.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -1261.625861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.625861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.625861 (E_RNA)
where:
Base-Base interactions energy: -711.700
where: short stacking energy: -359.271
Base-Backbone interact. energy: -4.395
local terms energy: -545.531392
where:
bonds (distance) C4'-P energy: -143.304
bonds (distance) P-C4' energy: -146.528
flat angles C4'-P-C4' energy: -135.078
flat angles P-C4'-P energy: -89.437
tors. eta vs tors. theta energy: -31.185
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: 2
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -961.751469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.751469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.751469 (E_RNA)
where:
Base-Base interactions energy: -474.154
where: short stacking energy: -276.932
Base-Backbone interact. energy: 3.504
local terms energy: -491.101885
where:
bonds (distance) C4'-P energy: -144.120
bonds (distance) P-C4' energy: -165.686
flat angles C4'-P-C4' energy: -112.103
flat angles P-C4'-P energy: -83.630
tors. eta vs tors. theta energy: 14.437
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: 10, replica: 4
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -813.668281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.668281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.668281 (E_RNA)
where:
Base-Base interactions energy: -385.776
where: short stacking energy: -244.455
Base-Backbone interact. energy: 0.376
local terms energy: -428.268393
where:
bonds (distance) C4'-P energy: -115.964
bonds (distance) P-C4' energy: -141.315
flat angles C4'-P-C4' energy: -122.687
flat angles P-C4'-P energy: -64.823
tors. eta vs tors. theta energy: 16.521
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: 208
Temperature: 0.900000
Total energy: -3026.474916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3026.474916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3026.474916 (E_RNA)
where:
Base-Base interactions energy: -2073.569
where: short stacking energy: -895.789
Base-Backbone interact. energy: -3.668
local terms energy: -949.238344
where:
bonds (distance) C4'-P energy: -176.247
bonds (distance) P-C4' energy: -163.567
flat angles C4'-P-C4' energy: -197.153
flat angles P-C4'-P energy: -139.220
tors. eta vs tors. theta energy: -273.050
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: 3
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -2845.788910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2845.788910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2845.788910 (E_RNA)
where:
Base-Base interactions energy: -1940.063
where: short stacking energy: -821.187
Base-Backbone interact. energy: -5.080
local terms energy: -900.645807
where:
bonds (distance) C4'-P energy: -166.091
bonds (distance) P-C4' energy: -182.876
flat angles C4'-P-C4' energy: -196.663
flat angles P-C4'-P energy: -123.422
tors. eta vs tors. theta energy: -231.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -2689.962149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2689.962149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2689.962149 (E_RNA)
where:
Base-Base interactions energy: -1795.248
where: short stacking energy: -802.878
Base-Backbone interact. energy: -2.021
local terms energy: -892.692648
where:
bonds (distance) C4'-P energy: -168.825
bonds (distance) P-C4' energy: -172.818
flat angles C4'-P-C4' energy: -187.038
flat angles P-C4'-P energy: -115.418
tors. eta vs tors. theta energy: -248.593
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: 4, replica: 5
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -2513.664943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2513.664943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2513.664943 (E_RNA)
where:
Base-Base interactions energy: -1716.594
where: short stacking energy: -703.542
Base-Backbone interact. energy: 3.005
local terms energy: -800.076718
where:
bonds (distance) C4'-P energy: -164.484
bonds (distance) P-C4' energy: -162.678
flat angles C4'-P-C4' energy: -163.625
flat angles P-C4'-P energy: -109.155
tors. eta vs tors. theta energy: -200.135
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: 5, replica: 1
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -2322.067348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2322.067348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2322.067348 (E_RNA)
where:
Base-Base interactions energy: -1527.439
where: short stacking energy: -669.059
Base-Backbone interact. energy: -2.556
local terms energy: -792.071400
where:
bonds (distance) C4'-P energy: -159.825
bonds (distance) P-C4' energy: -161.596
flat angles C4'-P-C4' energy: -183.055
flat angles P-C4'-P energy: -109.811
tors. eta vs tors. theta energy: -177.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -2043.497858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.497858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.497858 (E_RNA)
where:
Base-Base interactions energy: -1373.336
where: short stacking energy: -571.370
Base-Backbone interact. energy: 4.388
local terms energy: -674.550307
where:
bonds (distance) C4'-P energy: -126.256
bonds (distance) P-C4' energy: -155.834
flat angles C4'-P-C4' energy: -151.604
flat angles P-C4'-P energy: -98.304
tors. eta vs tors. theta energy: -142.553
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: 9
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -1501.713351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.713351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.713351 (E_RNA)
where:
Base-Base interactions energy: -859.715
where: short stacking energy: -421.185
Base-Backbone interact. energy: -4.590
local terms energy: -637.408324
where:
bonds (distance) C4'-P energy: -146.525
bonds (distance) P-C4' energy: -157.029
flat angles C4'-P-C4' energy: -148.047
flat angles P-C4'-P energy: -107.799
tors. eta vs tors. theta energy: -78.008
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: 8
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -1305.125761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.125761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.125761 (E_RNA)
where:
Base-Base interactions energy: -744.698
where: short stacking energy: -374.540
Base-Backbone interact. energy: 5.189
local terms energy: -565.617712
where:
bonds (distance) C4'-P energy: -139.394
bonds (distance) P-C4' energy: -167.062
flat angles C4'-P-C4' energy: -118.182
flat angles P-C4'-P energy: -90.019
tors. eta vs tors. theta energy: -50.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -973.605162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.605162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.605162 (E_RNA)
where:
Base-Base interactions energy: -455.289
where: short stacking energy: -277.397
Base-Backbone interact. energy: 4.078
local terms energy: -522.394706
where:
bonds (distance) C4'-P energy: -136.718
bonds (distance) P-C4' energy: -154.691
flat angles C4'-P-C4' energy: -131.748
flat angles P-C4'-P energy: -97.376
tors. eta vs tors. theta energy: -1.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -827.427253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.427253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.427253 (E_RNA)
where:
Base-Base interactions energy: -367.821
where: short stacking energy: -221.505
Base-Backbone interact. energy: -3.621
local terms energy: -455.985179
where:
bonds (distance) C4'-P energy: -126.586
bonds (distance) P-C4' energy: -141.047
flat angles C4'-P-C4' energy: -136.358
flat angles P-C4'-P energy: -70.438
tors. eta vs tors. theta energy: 18.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -3024.945516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3024.945516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3024.945516 (E_RNA)
where:
Base-Base interactions energy: -2053.780
where: short stacking energy: -877.662
Base-Backbone interact. energy: -6.418
local terms energy: -964.746915
where:
bonds (distance) C4'-P energy: -184.466
bonds (distance) P-C4' energy: -157.998
flat angles C4'-P-C4' energy: -214.008
flat angles P-C4'-P energy: -135.646
tors. eta vs tors. theta energy: -272.630
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: 2, replica: 3
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -2818.850300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2818.850300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2818.850300 (E_RNA)
where:
Base-Base interactions energy: -1946.279
where: short stacking energy: -824.433
Base-Backbone interact. energy: -4.891
local terms energy: -867.679827
where:
bonds (distance) C4'-P energy: -162.372
bonds (distance) P-C4' energy: -169.803
flat angles C4'-P-C4' energy: -186.477
flat angles P-C4'-P energy: -122.718
tors. eta vs tors. theta energy: -226.311
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: 209
Temperature: 1.000000
Total energy: -2699.485885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2699.485885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2699.485885 (E_RNA)
where:
Base-Base interactions energy: -1815.217
where: short stacking energy: -802.396
Base-Backbone interact. energy: -4.826
local terms energy: -879.442903
where:
bonds (distance) C4'-P energy: -166.926
bonds (distance) P-C4' energy: -167.561
flat angles C4'-P-C4' energy: -197.965
flat angles P-C4'-P energy: -113.488
tors. eta vs tors. theta energy: -233.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -2579.011728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2579.011728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2579.011728 (E_RNA)
where:
Base-Base interactions energy: -1740.481
where: short stacking energy: -708.392
Base-Backbone interact. energy: -3.627
local terms energy: -834.903458
where:
bonds (distance) C4'-P energy: -161.304
bonds (distance) P-C4' energy: -164.323
flat angles C4'-P-C4' energy: -179.679
flat angles P-C4'-P energy: -116.168
tors. eta vs tors. theta energy: -213.430
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: 1
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -2338.657251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.657251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2338.657251 (E_RNA)
where:
Base-Base interactions energy: -1556.096
where: short stacking energy: -672.299
Base-Backbone interact. energy: -3.852
local terms energy: -778.708809
where:
bonds (distance) C4'-P energy: -169.661
bonds (distance) P-C4' energy: -169.324
flat angles C4'-P-C4' energy: -157.304
flat angles P-C4'-P energy: -100.332
tors. eta vs tors. theta energy: -182.087
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: 6
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -2089.177146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.177146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2089.177146 (E_RNA)
where:
Base-Base interactions energy: -1361.687
where: short stacking energy: -591.586
Base-Backbone interact. energy: 4.376
local terms energy: -731.865568
where:
bonds (distance) C4'-P energy: -140.150
bonds (distance) P-C4' energy: -151.600
flat angles C4'-P-C4' energy: -162.812
flat angles P-C4'-P energy: -107.450
tors. eta vs tors. theta energy: -169.854
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: 9
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -1467.510838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.510838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.510838 (E_RNA)
where:
Base-Base interactions energy: -859.032
where: short stacking energy: -411.093
Base-Backbone interact. energy: -0.844
local terms energy: -607.634787
where:
bonds (distance) C4'-P energy: -147.902
bonds (distance) P-C4' energy: -143.424
flat angles C4'-P-C4' energy: -154.645
flat angles P-C4'-P energy: -92.339
tors. eta vs tors. theta energy: -69.325
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: 8
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -1180.391818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.391818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.391818 (E_RNA)
where:
Base-Base interactions energy: -632.042
where: short stacking energy: -306.464
Base-Backbone interact. energy: -1.294
local terms energy: -547.055278
where:
bonds (distance) C4'-P energy: -157.966
bonds (distance) P-C4' energy: -141.585
flat angles C4'-P-C4' energy: -133.816
flat angles P-C4'-P energy: -88.287
tors. eta vs tors. theta energy: -25.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -1004.320334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.320334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.320334 (E_RNA)
where:
Base-Base interactions energy: -538.222
where: short stacking energy: -291.190
Base-Backbone interact. energy: 3.794
local terms energy: -469.892528
where:
bonds (distance) C4'-P energy: -137.269
bonds (distance) P-C4' energy: -136.368
flat angles C4'-P-C4' energy: -122.008
flat angles P-C4'-P energy: -64.259
tors. eta vs tors. theta energy: -9.989
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: 4
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -806.463052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.463052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.463052 (E_RNA)
where:
Base-Base interactions energy: -357.886
where: short stacking energy: -215.355
Base-Backbone interact. energy: 3.459
local terms energy: -452.035624
where:
bonds (distance) C4'-P energy: -141.429
bonds (distance) P-C4' energy: -141.054
flat angles C4'-P-C4' energy: -126.221
flat angles P-C4'-P energy: -63.870
tors. eta vs tors. theta energy: 20.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -3016.487140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3016.487140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3016.487140 (E_RNA)
where:
Base-Base interactions energy: -2069.698
where: short stacking energy: -887.283
Base-Backbone interact. energy: 0.160
local terms energy: -946.949455
where:
bonds (distance) C4'-P energy: -175.354
bonds (distance) P-C4' energy: -163.639
flat angles C4'-P-C4' energy: -210.831
flat angles P-C4'-P energy: -119.871
tors. eta vs tors. theta energy: -277.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -2791.472761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2791.472761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2791.472761 (E_RNA)
where:
Base-Base interactions energy: -1937.047
where: short stacking energy: -773.157
Base-Backbone interact. energy: 4.027
local terms energy: -858.453269
where:
bonds (distance) C4'-P energy: -151.390
bonds (distance) P-C4' energy: -173.150
flat angles C4'-P-C4' energy: -179.870
flat angles P-C4'-P energy: -117.540
tors. eta vs tors. theta energy: -236.504
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: 10
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -2685.783787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2685.783787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2685.783787 (E_RNA)
where:
Base-Base interactions energy: -1796.307
where: short stacking energy: -790.571
Base-Backbone interact. energy: 1.148
local terms energy: -890.624694
where:
bonds (distance) C4'-P energy: -175.676
bonds (distance) P-C4' energy: -178.523
flat angles C4'-P-C4' energy: -188.611
flat angles P-C4'-P energy: -117.157
tors. eta vs tors. theta energy: -230.658
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: 4, replica: 5
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -2513.298087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2513.298087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2513.298087 (E_RNA)
where:
Base-Base interactions energy: -1698.549
where: short stacking energy: -711.252
Base-Backbone interact. energy: 1.191
local terms energy: -815.939812
where:
bonds (distance) C4'-P energy: -155.586
bonds (distance) P-C4' energy: -152.239
flat angles C4'-P-C4' energy: -181.942
flat angles P-C4'-P energy: -124.489
tors. eta vs tors. theta energy: -201.684
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: 5, replica: 1
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -2339.301104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2339.301104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.301104 (E_RNA)
where:
Base-Base interactions energy: -1542.934
where: short stacking energy: -652.750
Base-Backbone interact. energy: 2.056
local terms energy: -798.422779
where:
bonds (distance) C4'-P energy: -158.143
bonds (distance) P-C4' energy: -167.792
flat angles C4'-P-C4' energy: -164.089
flat angles P-C4'-P energy: -108.130
tors. eta vs tors. theta energy: -200.270
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: 6
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -2061.260576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.260576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.260576 (E_RNA)
where:
Base-Base interactions energy: -1369.551
where: short stacking energy: -577.440
Base-Backbone interact. energy: -1.551
local terms energy: -690.157667
where:
bonds (distance) C4'-P energy: -145.878
bonds (distance) P-C4' energy: -146.071
flat angles C4'-P-C4' energy: -165.122
flat angles P-C4'-P energy: -102.490
tors. eta vs tors. theta energy: -130.597
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: 7, replica: 9
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -1486.092884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.092884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.092884 (E_RNA)
where:
Base-Base interactions energy: -925.540
where: short stacking energy: -435.109
Base-Backbone interact. energy: -4.789
local terms energy: -555.764398
where:
bonds (distance) C4'-P energy: -128.960
bonds (distance) P-C4' energy: -146.668
flat angles C4'-P-C4' energy: -124.945
flat angles P-C4'-P energy: -91.413
tors. eta vs tors. theta energy: -63.779
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: 8
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -1176.812326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.812326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.812326 (E_RNA)
where:
Base-Base interactions energy: -636.313
where: short stacking energy: -346.888
Base-Backbone interact. energy: 0.964
local terms energy: -541.462636
where:
bonds (distance) C4'-P energy: -159.508
bonds (distance) P-C4' energy: -162.261
flat angles C4'-P-C4' energy: -137.174
flat angles P-C4'-P energy: -69.053
tors. eta vs tors. theta energy: -13.466
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: 9, replica: 2
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -984.083544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.083544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.083544 (E_RNA)
where:
Base-Base interactions energy: -507.565
where: short stacking energy: -272.300
Base-Backbone interact. energy: 1.294
local terms energy: -477.813033
where:
bonds (distance) C4'-P energy: -141.569
bonds (distance) P-C4' energy: -149.372
flat angles C4'-P-C4' energy: -140.201
flat angles P-C4'-P energy: -57.076
tors. eta vs tors. theta energy: 10.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -814.988503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.988503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.988503 (E_RNA)
where:
Base-Base interactions energy: -340.917
where: short stacking energy: -224.459
Base-Backbone interact. energy: -1.817
local terms energy: -472.255008
where:
bonds (distance) C4'-P energy: -127.329
bonds (distance) P-C4' energy: -154.707
flat angles C4'-P-C4' energy: -135.498
flat angles P-C4'-P energy: -84.746
tors. eta vs tors. theta energy: 30.025
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: 211
Temperature: 0.900000
Total energy: -3010.456567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3010.456567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3010.456567 (E_RNA)
where:
Base-Base interactions energy: -2039.219
where: short stacking energy: -910.969
Base-Backbone interact. energy: -0.146
local terms energy: -971.091399
where:
bonds (distance) C4'-P energy: -183.174
bonds (distance) P-C4' energy: -171.106
flat angles C4'-P-C4' energy: -194.052
flat angles P-C4'-P energy: -133.980
tors. eta vs tors. theta energy: -288.779
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: 2, replica: 3
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -2841.407724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2841.407724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2841.407724 (E_RNA)
where:
Base-Base interactions energy: -1960.557
where: short stacking energy: -796.837
Base-Backbone interact. energy: -2.129
local terms energy: -878.721644
where:
bonds (distance) C4'-P energy: -173.521
bonds (distance) P-C4' energy: -164.371
flat angles C4'-P-C4' energy: -197.972
flat angles P-C4'-P energy: -123.502
tors. eta vs tors. theta energy: -219.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -2698.754945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2698.754945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2698.754945 (E_RNA)
where:
Base-Base interactions energy: -1824.896
where: short stacking energy: -783.935
Base-Backbone interact. energy: -4.578
local terms energy: -869.280876
where:
bonds (distance) C4'-P energy: -139.468
bonds (distance) P-C4' energy: -164.991
flat angles C4'-P-C4' energy: -192.220
flat angles P-C4'-P energy: -125.164
tors. eta vs tors. theta energy: -247.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -2531.902150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2531.902150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2531.902150 (E_RNA)
where:
Base-Base interactions energy: -1702.142
where: short stacking energy: -704.135
Base-Backbone interact. energy: -3.258
local terms energy: -826.502587
where:
bonds (distance) C4'-P energy: -165.101
bonds (distance) P-C4' energy: -153.940
flat angles C4'-P-C4' energy: -178.256
flat angles P-C4'-P energy: -120.562
tors. eta vs tors. theta energy: -208.642
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: 5, replica: 1
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -2328.208598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2328.208598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2328.208598 (E_RNA)
where:
Base-Base interactions energy: -1511.204
where: short stacking energy: -650.928
Base-Backbone interact. energy: -4.155
local terms energy: -812.849046
where:
bonds (distance) C4'-P energy: -170.852
bonds (distance) P-C4' energy: -157.045
flat angles C4'-P-C4' energy: -182.055
flat angles P-C4'-P energy: -105.347
tors. eta vs tors. theta energy: -197.551
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: 6, replica: 6
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -2112.404764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.404764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.404764 (E_RNA)
where:
Base-Base interactions energy: -1382.832
where: short stacking energy: -614.602
Base-Backbone interact. energy: 1.798
local terms energy: -731.370493
where:
bonds (distance) C4'-P energy: -138.212
bonds (distance) P-C4' energy: -153.955
flat angles C4'-P-C4' energy: -166.394
flat angles P-C4'-P energy: -106.603
tors. eta vs tors. theta energy: -166.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -1490.110526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.110526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.110526 (E_RNA)
where:
Base-Base interactions energy: -870.632
where: short stacking energy: -411.216
Base-Backbone interact. energy: 1.583
local terms energy: -621.224907
where:
bonds (distance) C4'-P energy: -127.588
bonds (distance) P-C4' energy: -163.489
flat angles C4'-P-C4' energy: -147.694
flat angles P-C4'-P energy: -96.890
tors. eta vs tors. theta energy: -85.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.163 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -1188.057765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.057765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.057765 (E_RNA)
where:
Base-Base interactions energy: -643.230
where: short stacking energy: -346.786
Base-Backbone interact. energy: -2.612
local terms energy: -542.216174
where:
bonds (distance) C4'-P energy: -136.924
bonds (distance) P-C4' energy: -142.863
flat angles C4'-P-C4' energy: -122.714
flat angles P-C4'-P energy: -92.172
tors. eta vs tors. theta energy: -47.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -974.381495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.381495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.381495 (E_RNA)
where:
Base-Base interactions energy: -479.868
where: short stacking energy: -273.880
Base-Backbone interact. energy: 6.734
local terms energy: -501.247538
where:
bonds (distance) C4'-P energy: -142.853
bonds (distance) P-C4' energy: -165.116
flat angles C4'-P-C4' energy: -131.019
flat angles P-C4'-P energy: -80.641
tors. eta vs tors. theta energy: 18.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -811.231534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.231534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.231534 (E_RNA)
where:
Base-Base interactions energy: -359.735
where: short stacking energy: -235.780
Base-Backbone interact. energy: 3.283
local terms energy: -454.779413
where:
bonds (distance) C4'-P energy: -140.406
bonds (distance) P-C4' energy: -144.659
flat angles C4'-P-C4' energy: -113.263
flat angles P-C4'-P energy: -65.256
tors. eta vs tors. theta energy: 8.805
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: 7
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -3013.110173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3013.110173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3013.110173 (E_RNA)
where:
Base-Base interactions energy: -2042.543
where: short stacking energy: -861.161
Base-Backbone interact. energy: -1.952
local terms energy: -968.614528
where:
bonds (distance) C4'-P energy: -182.667
bonds (distance) P-C4' energy: -172.165
flat angles C4'-P-C4' energy: -201.638
flat angles P-C4'-P energy: -142.386
tors. eta vs tors. theta energy: -269.759
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: 2, replica: 3
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -2856.868067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2856.868067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2856.868067 (E_RNA)
where:
Base-Base interactions energy: -1952.191
where: short stacking energy: -796.074
Base-Backbone interact. energy: -3.131
local terms energy: -901.546039
where:
bonds (distance) C4'-P energy: -177.213
bonds (distance) P-C4' energy: -176.575
flat angles C4'-P-C4' energy: -184.248
flat angles P-C4'-P energy: -133.567
tors. eta vs tors. theta energy: -229.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -2682.028681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2682.028681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2682.028681 (E_RNA)
where:
Base-Base interactions energy: -1783.937
where: short stacking energy: -778.182
Base-Backbone interact. energy: 0.770
local terms energy: -898.861578
where:
bonds (distance) C4'-P energy: -181.000
bonds (distance) P-C4' energy: -165.812
flat angles C4'-P-C4' energy: -185.375
flat angles P-C4'-P energy: -131.817
tors. eta vs tors. theta energy: -234.856
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: 212
Temperature: 1.050000
Total energy: -2589.635402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2589.635402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2589.635402 (E_RNA)
where:
Base-Base interactions energy: -1758.742
where: short stacking energy: -774.122
Base-Backbone interact. energy: 0.215
local terms energy: -831.107943
where:
bonds (distance) C4'-P energy: -169.468
bonds (distance) P-C4' energy: -151.287
flat angles C4'-P-C4' energy: -178.968
flat angles P-C4'-P energy: -114.743
tors. eta vs tors. theta energy: -216.642
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: 5, replica: 1
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -2336.345527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2336.345527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2336.345527 (E_RNA)
where:
Base-Base interactions energy: -1559.233
where: short stacking energy: -697.359
Base-Backbone interact. energy: -5.438
local terms energy: -771.674678
where:
bonds (distance) C4'-P energy: -143.731
bonds (distance) P-C4' energy: -164.304
flat angles C4'-P-C4' energy: -168.822
flat angles P-C4'-P energy: -115.219
tors. eta vs tors. theta energy: -179.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -2097.283699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.283699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.283699 (E_RNA)
where:
Base-Base interactions energy: -1415.882
where: short stacking energy: -601.646
Base-Backbone interact. energy: -1.043
local terms energy: -680.358996
where:
bonds (distance) C4'-P energy: -136.915
bonds (distance) P-C4' energy: -141.871
flat angles C4'-P-C4' energy: -169.932
flat angles P-C4'-P energy: -88.519
tors. eta vs tors. theta energy: -143.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -1499.949676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.949676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1499.949676 (E_RNA)
where:
Base-Base interactions energy: -901.229
where: short stacking energy: -418.369
Base-Backbone interact. energy: -2.968
local terms energy: -595.752695
where:
bonds (distance) C4'-P energy: -159.218
bonds (distance) P-C4' energy: -140.458
flat angles C4'-P-C4' energy: -151.954
flat angles P-C4'-P energy: -76.793
tors. eta vs tors. theta energy: -67.330
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: 8
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -1221.799696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.799696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.799696 (E_RNA)
where:
Base-Base interactions energy: -634.252
where: short stacking energy: -347.370
Base-Backbone interact. energy: 2.932
local terms energy: -590.480204
where:
bonds (distance) C4'-P energy: -166.261
bonds (distance) P-C4' energy: -132.894
flat angles C4'-P-C4' energy: -154.680
flat angles P-C4'-P energy: -81.210
tors. eta vs tors. theta energy: -55.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -1039.534809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.534809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.534809 (E_RNA)
where:
Base-Base interactions energy: -482.050
where: short stacking energy: -285.141
Base-Backbone interact. energy: 3.119
local terms energy: -560.603210
where:
bonds (distance) C4'-P energy: -168.266
bonds (distance) P-C4' energy: -167.573
flat angles C4'-P-C4' energy: -137.116
flat angles P-C4'-P energy: -75.698
tors. eta vs tors. theta energy: -11.950
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: 10, replica: 4
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -823.978690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.978690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.978690 (E_RNA)
where:
Base-Base interactions energy: -351.116
where: short stacking energy: -236.265
Base-Backbone interact. energy: -0.186
local terms energy: -472.676436
where:
bonds (distance) C4'-P energy: -126.803
bonds (distance) P-C4' energy: -140.290
flat angles C4'-P-C4' energy: -120.291
flat angles P-C4'-P energy: -78.035
tors. eta vs tors. theta energy: -7.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -3029.793851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3029.793851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3029.793851 (E_RNA)
where:
Base-Base interactions energy: -2040.368
where: short stacking energy: -888.540
Base-Backbone interact. energy: -2.947
local terms energy: -986.478830
where:
bonds (distance) C4'-P energy: -186.328
bonds (distance) P-C4' energy: -176.636
flat angles C4'-P-C4' energy: -211.098
flat angles P-C4'-P energy: -139.028
tors. eta vs tors. theta energy: -273.387
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: 2, replica: 3
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -2792.790797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2792.790797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2792.790797 (E_RNA)
where:
Base-Base interactions energy: -1891.604
where: short stacking energy: -802.272
Base-Backbone interact. energy: -1.822
local terms energy: -899.364905
where:
bonds (distance) C4'-P energy: -179.544
bonds (distance) P-C4' energy: -188.013
flat angles C4'-P-C4' energy: -183.141
flat angles P-C4'-P energy: -128.804
tors. eta vs tors. theta energy: -219.863
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: 213
Temperature: 1.000000
Total energy: -2700.322242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2700.322242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2700.322242 (E_RNA)
where:
Base-Base interactions energy: -1840.079
where: short stacking energy: -775.796
Base-Backbone interact. energy: 4.588
local terms energy: -864.830704
where:
bonds (distance) C4'-P energy: -163.488
bonds (distance) P-C4' energy: -168.956
flat angles C4'-P-C4' energy: -182.297
flat angles P-C4'-P energy: -119.618
tors. eta vs tors. theta energy: -230.471
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: 4, replica: 5
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -2536.963459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2536.963459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2536.963459 (E_RNA)
where:
Base-Base interactions energy: -1679.409
where: short stacking energy: -688.592
Base-Backbone interact. energy: -1.598
local terms energy: -855.956867
where:
bonds (distance) C4'-P energy: -150.975
bonds (distance) P-C4' energy: -178.778
flat angles C4'-P-C4' energy: -194.599
flat angles P-C4'-P energy: -121.749
tors. eta vs tors. theta energy: -209.855
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: 1
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -2385.637966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2385.637966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2385.637966 (E_RNA)
where:
Base-Base interactions energy: -1638.570
where: short stacking energy: -683.189
Base-Backbone interact. energy: -0.521
local terms energy: -746.547214
where:
bonds (distance) C4'-P energy: -112.894
bonds (distance) P-C4' energy: -152.037
flat angles C4'-P-C4' energy: -168.050
flat angles P-C4'-P energy: -125.455
tors. eta vs tors. theta energy: -188.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -2069.443257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.443257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2069.443257 (E_RNA)
where:
Base-Base interactions energy: -1337.530
where: short stacking energy: -586.143
Base-Backbone interact. energy: -3.152
local terms energy: -728.761445
where:
bonds (distance) C4'-P energy: -160.324
bonds (distance) P-C4' energy: -164.410
flat angles C4'-P-C4' energy: -169.419
flat angles P-C4'-P energy: -96.696
tors. eta vs tors. theta energy: -137.912
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: 7, replica: 9
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -1459.373982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.373982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.373982 (E_RNA)
where:
Base-Base interactions energy: -847.142
where: short stacking energy: -402.705
Base-Backbone interact. energy: -2.030
local terms energy: -610.202420
where:
bonds (distance) C4'-P energy: -146.805
bonds (distance) P-C4' energy: -154.640
flat angles C4'-P-C4' energy: -161.685
flat angles P-C4'-P energy: -85.429
tors. eta vs tors. theta energy: -61.644
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: 8
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -1255.678547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.678547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.678547 (E_RNA)
where:
Base-Base interactions energy: -690.677
where: short stacking energy: -326.111
Base-Backbone interact. energy: 2.678
local terms energy: -567.679896
where:
bonds (distance) C4'-P energy: -149.071
bonds (distance) P-C4' energy: -167.493
flat angles C4'-P-C4' energy: -135.217
flat angles P-C4'-P energy: -74.266
tors. eta vs tors. theta energy: -41.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -953.432938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.432938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.432938 (E_RNA)
where:
Base-Base interactions energy: -468.889
where: short stacking energy: -261.874
Base-Backbone interact. energy: -2.892
local terms energy: -481.651354
where:
bonds (distance) C4'-P energy: -139.986
bonds (distance) P-C4' energy: -146.614
flat angles C4'-P-C4' energy: -128.084
flat angles P-C4'-P energy: -76.843
tors. eta vs tors. theta energy: 9.876
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: 10, replica: 4
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -833.249110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.249110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.249110 (E_RNA)
where:
Base-Base interactions energy: -375.170
where: short stacking energy: -229.828
Base-Backbone interact. energy: 0.134
local terms energy: -458.213003
where:
bonds (distance) C4'-P energy: -137.655
bonds (distance) P-C4' energy: -154.965
flat angles C4'-P-C4' energy: -108.508
flat angles P-C4'-P energy: -69.599
tors. eta vs tors. theta energy: 12.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -2995.190460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2995.190460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2995.190460 (E_RNA)
where:
Base-Base interactions energy: -2051.985
where: short stacking energy: -888.106
Base-Backbone interact. energy: -0.360
local terms energy: -942.845044
where:
bonds (distance) C4'-P energy: -175.190
bonds (distance) P-C4' energy: -170.357
flat angles C4'-P-C4' energy: -204.895
flat angles P-C4'-P energy: -128.780
tors. eta vs tors. theta energy: -263.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -2822.481911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2822.481911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2822.481911 (E_RNA)
where:
Base-Base interactions energy: -1976.195
where: short stacking energy: -795.472
Base-Backbone interact. energy: -4.692
local terms energy: -841.595153
where:
bonds (distance) C4'-P energy: -155.249
bonds (distance) P-C4' energy: -171.468
flat angles C4'-P-C4' energy: -184.369
flat angles P-C4'-P energy: -119.459
tors. eta vs tors. theta energy: -211.050
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: 10
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -2709.403064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2709.403064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2709.403064 (E_RNA)
where:
Base-Base interactions energy: -1859.931
where: short stacking energy: -785.937
Base-Backbone interact. energy: -2.514
local terms energy: -846.957994
where:
bonds (distance) C4'-P energy: -160.968
bonds (distance) P-C4' energy: -149.823
flat angles C4'-P-C4' energy: -193.564
flat angles P-C4'-P energy: -119.528
tors. eta vs tors. theta energy: -223.075
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: 4, replica: 5
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -2522.854571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2522.854571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2522.854571 (E_RNA)
where:
Base-Base interactions energy: -1681.895
where: short stacking energy: -753.684
Base-Backbone interact. energy: -1.741
local terms energy: -839.219029
where:
bonds (distance) C4'-P energy: -153.937
bonds (distance) P-C4' energy: -162.180
flat angles C4'-P-C4' energy: -182.304
flat angles P-C4'-P energy: -119.009
tors. eta vs tors. theta energy: -221.788
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: 5, replica: 1
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -2320.865422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2320.865422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2320.865422 (E_RNA)
where:
Base-Base interactions energy: -1576.428
where: short stacking energy: -673.818
Base-Backbone interact. energy: 2.507
local terms energy: -746.944861
where:
bonds (distance) C4'-P energy: -136.552
bonds (distance) P-C4' energy: -138.695
flat angles C4'-P-C4' energy: -181.404
flat angles P-C4'-P energy: -113.218
tors. eta vs tors. theta energy: -177.075
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: 6
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -2055.423002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.423002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.423002 (E_RNA)
where:
Base-Base interactions energy: -1328.138
where: short stacking energy: -595.136
Base-Backbone interact. energy: 0.725
local terms energy: -728.009758
where:
bonds (distance) C4'-P energy: -133.274
bonds (distance) P-C4' energy: -158.560
flat angles C4'-P-C4' energy: -162.380
flat angles P-C4'-P energy: -129.321
tors. eta vs tors. theta energy: -144.476
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: 9
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -1445.270537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.270537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.270537 (E_RNA)
where:
Base-Base interactions energy: -827.102
where: short stacking energy: -386.313
Base-Backbone interact. energy: 0.584
local terms energy: -618.752225
where:
bonds (distance) C4'-P energy: -131.833
bonds (distance) P-C4' energy: -166.081
flat angles C4'-P-C4' energy: -161.270
flat angles P-C4'-P energy: -99.017
tors. eta vs tors. theta energy: -60.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -1258.468531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.468531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.468531 (E_RNA)
where:
Base-Base interactions energy: -689.635
where: short stacking energy: -347.425
Base-Backbone interact. energy: -3.038
local terms energy: -565.796187
where:
bonds (distance) C4'-P energy: -159.295
bonds (distance) P-C4' energy: -144.891
flat angles C4'-P-C4' energy: -139.729
flat angles P-C4'-P energy: -88.069
tors. eta vs tors. theta energy: -33.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -1026.459797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.459797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.459797 (E_RNA)
where:
Base-Base interactions energy: -493.811
where: short stacking energy: -310.035
Base-Backbone interact. energy: 7.330
local terms energy: -539.978783
where:
bonds (distance) C4'-P energy: -144.452
bonds (distance) P-C4' energy: -155.200
flat angles C4'-P-C4' energy: -132.840
flat angles P-C4'-P energy: -75.020
tors. eta vs tors. theta energy: -32.467
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: 4
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -832.784366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.784366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.784366 (E_RNA)
where:
Base-Base interactions energy: -378.583
where: short stacking energy: -218.558
Base-Backbone interact. energy: 0.577
local terms energy: -454.778685
where:
bonds (distance) C4'-P energy: -129.598
bonds (distance) P-C4' energy: -138.887
flat angles C4'-P-C4' energy: -151.606
flat angles P-C4'-P energy: -46.946
tors. eta vs tors. theta energy: 12.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -3004.384129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3004.384129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3004.384129 (E_RNA)
where:
Base-Base interactions energy: -2059.781
where: short stacking energy: -898.389
Base-Backbone interact. energy: -5.086
local terms energy: -939.516420
where:
bonds (distance) C4'-P energy: -179.021
bonds (distance) P-C4' energy: -164.336
flat angles C4'-P-C4' energy: -194.677
flat angles P-C4'-P energy: -134.201
tors. eta vs tors. theta energy: -267.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -2877.468273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2877.468273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2877.468273 (E_RNA)
where:
Base-Base interactions energy: -2007.914
where: short stacking energy: -796.964
Base-Backbone interact. energy: -1.291
local terms energy: -868.264098
where:
bonds (distance) C4'-P energy: -167.675
bonds (distance) P-C4' energy: -167.835
flat angles C4'-P-C4' energy: -185.513
flat angles P-C4'-P energy: -129.995
tors. eta vs tors. theta energy: -217.246
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: 215
Temperature: 1.000000
Total energy: -2669.498648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2669.498648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2669.498648 (E_RNA)
where:
Base-Base interactions energy: -1808.890
where: short stacking energy: -786.825
Base-Backbone interact. energy: 1.523
local terms energy: -862.131684
where:
bonds (distance) C4'-P energy: -139.961
bonds (distance) P-C4' energy: -183.160
flat angles C4'-P-C4' energy: -188.620
flat angles P-C4'-P energy: -119.266
tors. eta vs tors. theta energy: -231.125
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: 5
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -2523.844686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2523.844686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2523.844686 (E_RNA)
where:
Base-Base interactions energy: -1663.567
where: short stacking energy: -728.207
Base-Backbone interact. energy: -5.104
local terms energy: -855.173405
where:
bonds (distance) C4'-P energy: -158.602
bonds (distance) P-C4' energy: -169.440
flat angles C4'-P-C4' energy: -177.586
flat angles P-C4'-P energy: -121.275
tors. eta vs tors. theta energy: -228.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -2349.049683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2349.049683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2349.049683 (E_RNA)
where:
Base-Base interactions energy: -1608.026
where: short stacking energy: -665.296
Base-Backbone interact. energy: 4.494
local terms energy: -745.517621
where:
bonds (distance) C4'-P energy: -149.225
bonds (distance) P-C4' energy: -153.734
flat angles C4'-P-C4' energy: -165.172
flat angles P-C4'-P energy: -105.215
tors. eta vs tors. theta energy: -172.171
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: 6
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -2148.465876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.465876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.465876 (E_RNA)
where:
Base-Base interactions energy: -1437.300
where: short stacking energy: -638.055
Base-Backbone interact. energy: 4.002
local terms energy: -715.168008
where:
bonds (distance) C4'-P energy: -141.043
bonds (distance) P-C4' energy: -152.707
flat angles C4'-P-C4' energy: -149.033
flat angles P-C4'-P energy: -99.136
tors. eta vs tors. theta energy: -173.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -1432.625208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.625208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.625208 (E_RNA)
where:
Base-Base interactions energy: -822.166
where: short stacking energy: -391.652
Base-Backbone interact. energy: 4.266
local terms energy: -614.725283
where:
bonds (distance) C4'-P energy: -153.486
bonds (distance) P-C4' energy: -153.447
flat angles C4'-P-C4' energy: -153.082
flat angles P-C4'-P energy: -91.848
tors. eta vs tors. theta energy: -62.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -1223.619099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.619099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.619099 (E_RNA)
where:
Base-Base interactions energy: -662.200
where: short stacking energy: -330.726
Base-Backbone interact. energy: -4.289
local terms energy: -557.129762
where:
bonds (distance) C4'-P energy: -147.910
bonds (distance) P-C4' energy: -155.882
flat angles C4'-P-C4' energy: -123.133
flat angles P-C4'-P energy: -91.550
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: 9, replica: 2
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -962.739090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.739090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.739090 (E_RNA)
where:
Base-Base interactions energy: -451.758
where: short stacking energy: -280.160
Base-Backbone interact. energy: 1.527
local terms energy: -512.507981
where:
bonds (distance) C4'-P energy: -129.183
bonds (distance) P-C4' energy: -153.668
flat angles C4'-P-C4' energy: -136.609
flat angles P-C4'-P energy: -86.712
tors. eta vs tors. theta energy: -6.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -820.337751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.337751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.337751 (E_RNA)
where:
Base-Base interactions energy: -397.746
where: short stacking energy: -230.582
Base-Backbone interact. energy: 4.859
local terms energy: -427.450732
where:
bonds (distance) C4'-P energy: -125.703
bonds (distance) P-C4' energy: -147.517
flat angles C4'-P-C4' energy: -131.170
flat angles P-C4'-P energy: -55.716
tors. eta vs tors. theta energy: 32.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -3033.380487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3033.380487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3033.380487 (E_RNA)
where:
Base-Base interactions energy: -2063.075
where: short stacking energy: -890.877
Base-Backbone interact. energy: -2.945
local terms energy: -967.360280
where:
bonds (distance) C4'-P energy: -171.353
bonds (distance) P-C4' energy: -180.305
flat angles C4'-P-C4' energy: -210.153
flat angles P-C4'-P energy: -136.014
tors. eta vs tors. theta energy: -269.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -2907.776643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2907.776643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2907.776643 (E_RNA)
where:
Base-Base interactions energy: -2027.523
where: short stacking energy: -786.525
Base-Backbone interact. energy: -2.293
local terms energy: -877.960724
where:
bonds (distance) C4'-P energy: -185.564
bonds (distance) P-C4' energy: -178.374
flat angles C4'-P-C4' energy: -180.132
flat angles P-C4'-P energy: -108.311
tors. eta vs tors. theta energy: -225.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -2744.695194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2744.695194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2744.695194 (E_RNA)
where:
Base-Base interactions energy: -1869.684
where: short stacking energy: -804.434
Base-Backbone interact. energy: -1.033
local terms energy: -873.977660
where:
bonds (distance) C4'-P energy: -156.096
bonds (distance) P-C4' energy: -170.364
flat angles C4'-P-C4' energy: -188.962
flat angles P-C4'-P energy: -126.876
tors. eta vs tors. theta energy: -231.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -2536.538977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2536.538977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2536.538977 (E_RNA)
where:
Base-Base interactions energy: -1691.347
where: short stacking energy: -730.699
Base-Backbone interact. energy: -2.140
local terms energy: -843.052289
where:
bonds (distance) C4'-P energy: -158.107
bonds (distance) P-C4' energy: -157.523
flat angles C4'-P-C4' energy: -172.585
flat angles P-C4'-P energy: -130.559
tors. eta vs tors. theta energy: -224.278
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: 1
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -2413.424685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2413.424685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2413.424685 (E_RNA)
where:
Base-Base interactions energy: -1609.464
where: short stacking energy: -673.177
Base-Backbone interact. energy: -1.304
local terms energy: -802.657078
where:
bonds (distance) C4'-P energy: -162.338
bonds (distance) P-C4' energy: -161.467
flat angles C4'-P-C4' energy: -181.621
flat angles P-C4'-P energy: -109.413
tors. eta vs tors. theta energy: -187.819
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: 6, replica: 6
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -2120.006711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.006711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.006711 (E_RNA)
where:
Base-Base interactions energy: -1370.430
where: short stacking energy: -620.596
Base-Backbone interact. energy: -3.912
local terms energy: -745.665073
where:
bonds (distance) C4'-P energy: -137.670
bonds (distance) P-C4' energy: -164.464
flat angles C4'-P-C4' energy: -168.279
flat angles P-C4'-P energy: -107.295
tors. eta vs tors. theta energy: -167.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -1329.728239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.728239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.728239 (E_RNA)
where:
Base-Base interactions energy: -758.493
where: short stacking energy: -424.680
Base-Backbone interact. energy: 1.417
local terms energy: -572.651665
where:
bonds (distance) C4'-P energy: -138.968
bonds (distance) P-C4' energy: -151.128
flat angles C4'-P-C4' energy: -135.015
flat angles P-C4'-P energy: -81.006
tors. eta vs tors. theta energy: -66.535
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: 9
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -1355.764429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.764429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.764429 (E_RNA)
where:
Base-Base interactions energy: -783.317
where: short stacking energy: -370.247
Base-Backbone interact. energy: -2.398
local terms energy: -570.049272
where:
bonds (distance) C4'-P energy: -154.497
bonds (distance) P-C4' energy: -149.000
flat angles C4'-P-C4' energy: -128.454
flat angles P-C4'-P energy: -91.613
tors. eta vs tors. theta energy: -46.486
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: 2
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -977.404264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.404264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.404264 (E_RNA)
where:
Base-Base interactions energy: -494.897
where: short stacking energy: -296.109
Base-Backbone interact. energy: -1.797
local terms energy: -480.710461
where:
bonds (distance) C4'-P energy: -123.138
bonds (distance) P-C4' energy: -155.118
flat angles C4'-P-C4' energy: -128.494
flat angles P-C4'-P energy: -84.827
tors. eta vs tors. theta energy: 10.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -798.227366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.227366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.227366 (E_RNA)
where:
Base-Base interactions energy: -333.332
where: short stacking energy: -219.762
Base-Backbone interact. energy: -0.235
local terms energy: -464.660263
where:
bonds (distance) C4'-P energy: -117.968
bonds (distance) P-C4' energy: -157.296
flat angles C4'-P-C4' energy: -125.138
flat angles P-C4'-P energy: -66.701
tors. eta vs tors. theta energy: 2.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -3019.304846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3019.304846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3019.304846 (E_RNA)
where:
Base-Base interactions energy: -2051.931
where: short stacking energy: -896.389
Base-Backbone interact. energy: -0.633
local terms energy: -966.741379
where:
bonds (distance) C4'-P energy: -172.226
bonds (distance) P-C4' energy: -178.987
flat angles C4'-P-C4' energy: -199.703
flat angles P-C4'-P energy: -139.202
tors. eta vs tors. theta energy: -276.623
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: 3
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -2868.827604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2868.827604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2868.827604 (E_RNA)
where:
Base-Base interactions energy: -2011.241
where: short stacking energy: -780.393
Base-Backbone interact. energy: -1.737
local terms energy: -855.849820
where:
bonds (distance) C4'-P energy: -157.653
bonds (distance) P-C4' energy: -173.089
flat angles C4'-P-C4' energy: -180.962
flat angles P-C4'-P energy: -118.874
tors. eta vs tors. theta energy: -225.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -2737.232925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2737.232925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2737.232925 (E_RNA)
where:
Base-Base interactions energy: -1841.925
where: short stacking energy: -791.690
Base-Backbone interact. energy: -2.379
local terms energy: -892.928550
where:
bonds (distance) C4'-P energy: -171.985
bonds (distance) P-C4' energy: -169.333
flat angles C4'-P-C4' energy: -191.706
flat angles P-C4'-P energy: -134.897
tors. eta vs tors. theta energy: -225.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -2560.320109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2560.320109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2560.320109 (E_RNA)
where:
Base-Base interactions energy: -1697.530
where: short stacking energy: -751.242
Base-Backbone interact. energy: -2.941
local terms energy: -859.849079
where:
bonds (distance) C4'-P energy: -158.626
bonds (distance) P-C4' energy: -176.505
flat angles C4'-P-C4' energy: -186.760
flat angles P-C4'-P energy: -107.090
tors. eta vs tors. theta energy: -230.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -2452.476864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2452.476864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2452.476864 (E_RNA)
where:
Base-Base interactions energy: -1659.481
where: short stacking energy: -682.692
Base-Backbone interact. energy: -3.182
local terms energy: -789.813897
where:
bonds (distance) C4'-P energy: -138.902
bonds (distance) P-C4' energy: -150.931
flat angles C4'-P-C4' energy: -183.690
flat angles P-C4'-P energy: -117.492
tors. eta vs tors. theta energy: -198.799
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: 6
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -2141.049099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2141.049099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2141.049099 (E_RNA)
where:
Base-Base interactions energy: -1441.938
where: short stacking energy: -611.652
Base-Backbone interact. energy: 0.488
local terms energy: -700.162641
where:
bonds (distance) C4'-P energy: -156.858
bonds (distance) P-C4' energy: -155.575
flat angles C4'-P-C4' energy: -142.844
flat angles P-C4'-P energy: -103.305
tors. eta vs tors. theta energy: -141.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.564 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -1376.528624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.528624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.528624 (E_RNA)
where:
Base-Base interactions energy: -750.897
where: short stacking energy: -378.896
Base-Backbone interact. energy: 1.250
local terms energy: -626.880707
where:
bonds (distance) C4'-P energy: -140.191
bonds (distance) P-C4' energy: -170.262
flat angles C4'-P-C4' energy: -156.422
flat angles P-C4'-P energy: -109.273
tors. eta vs tors. theta energy: -50.733
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: 9
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -1353.688681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.688681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.688681 (E_RNA)
where:
Base-Base interactions energy: -807.984
where: short stacking energy: -375.549
Base-Backbone interact. energy: -0.965
local terms energy: -544.739978
where:
bonds (distance) C4'-P energy: -115.663
bonds (distance) P-C4' energy: -151.930
flat angles C4'-P-C4' energy: -163.120
flat angles P-C4'-P energy: -66.854
tors. eta vs tors. theta energy: -47.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -959.565649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.565649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.565649 (E_RNA)
where:
Base-Base interactions energy: -498.790
where: short stacking energy: -288.660
Base-Backbone interact. energy: -0.508
local terms energy: -460.268198
where:
bonds (distance) C4'-P energy: -132.464
bonds (distance) P-C4' energy: -147.249
flat angles C4'-P-C4' energy: -113.919
flat angles P-C4'-P energy: -74.545
tors. eta vs tors. theta energy: 7.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -861.976778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.976778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.976778 (E_RNA)
where:
Base-Base interactions energy: -383.705
where: short stacking energy: -236.024
Base-Backbone interact. energy: -2.805
local terms energy: -475.466827
where:
bonds (distance) C4'-P energy: -137.546
bonds (distance) P-C4' energy: -148.720
flat angles C4'-P-C4' energy: -115.002
flat angles P-C4'-P energy: -72.487
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: 1, replica: 7
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -3002.675931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3002.675931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3002.675931 (E_RNA)
where:
Base-Base interactions energy: -2042.457
where: short stacking energy: -864.773
Base-Backbone interact. energy: -2.812
local terms energy: -957.406435
where:
bonds (distance) C4'-P energy: -183.662
bonds (distance) P-C4' energy: -185.742
flat angles C4'-P-C4' energy: -200.140
flat angles P-C4'-P energy: -122.811
tors. eta vs tors. theta energy: -265.052
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: 3
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -2855.943746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2855.943746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2855.943746 (E_RNA)
where:
Base-Base interactions energy: -1956.412
where: short stacking energy: -804.453
Base-Backbone interact. energy: -3.687
local terms energy: -895.844572
where:
bonds (distance) C4'-P energy: -186.204
bonds (distance) P-C4' energy: -158.663
flat angles C4'-P-C4' energy: -202.970
flat angles P-C4'-P energy: -127.167
tors. eta vs tors. theta energy: -220.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -2767.612276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2767.612276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2767.612276 (E_RNA)
where:
Base-Base interactions energy: -1886.102
where: short stacking energy: -782.787
Base-Backbone interact. energy: -6.075
local terms energy: -875.434584
where:
bonds (distance) C4'-P energy: -168.570
bonds (distance) P-C4' energy: -169.771
flat angles C4'-P-C4' energy: -197.698
flat angles P-C4'-P energy: -108.483
tors. eta vs tors. theta energy: -230.913
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: 5
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -2547.065729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2547.065729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2547.065729 (E_RNA)
where:
Base-Base interactions energy: -1692.463
where: short stacking energy: -736.039
Base-Backbone interact. energy: -1.087
local terms energy: -853.515306
where:
bonds (distance) C4'-P energy: -158.850
bonds (distance) P-C4' energy: -169.426
flat angles C4'-P-C4' energy: -189.839
flat angles P-C4'-P energy: -119.675
tors. eta vs tors. theta energy: -215.725
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: 5, replica: 1
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -2404.809033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2404.809033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2404.809033 (E_RNA)
where:
Base-Base interactions energy: -1618.254
where: short stacking energy: -677.870
Base-Backbone interact. energy: -3.913
local terms energy: -782.641810
where:
bonds (distance) C4'-P energy: -171.370
bonds (distance) P-C4' energy: -138.446
flat angles C4'-P-C4' energy: -176.601
flat angles P-C4'-P energy: -107.173
tors. eta vs tors. theta energy: -189.052
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: 6
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -2196.669307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.669307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.669307 (E_RNA)
where:
Base-Base interactions energy: -1410.444
where: short stacking energy: -603.825
Base-Backbone interact. energy: 5.426
local terms energy: -791.651245
where:
bonds (distance) C4'-P energy: -158.292
bonds (distance) P-C4' energy: -164.171
flat angles C4'-P-C4' energy: -187.290
flat angles P-C4'-P energy: -125.407
tors. eta vs tors. theta energy: -156.492
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: 8
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -1346.568901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.568901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.568901 (E_RNA)
where:
Base-Base interactions energy: -747.675
where: short stacking energy: -400.290
Base-Backbone interact. energy: -1.811
local terms energy: -597.082876
where:
bonds (distance) C4'-P energy: -159.578
bonds (distance) P-C4' energy: -148.429
flat angles C4'-P-C4' energy: -152.441
flat angles P-C4'-P energy: -81.847
tors. eta vs tors. theta energy: -54.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -1330.592274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.592274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.592274 (E_RNA)
where:
Base-Base interactions energy: -755.801
where: short stacking energy: -384.013
Base-Backbone interact. energy: 2.586
local terms energy: -577.377240
where:
bonds (distance) C4'-P energy: -137.023
bonds (distance) P-C4' energy: -171.250
flat angles C4'-P-C4' energy: -131.397
flat angles P-C4'-P energy: -90.856
tors. eta vs tors. theta energy: -46.851
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: 9, replica: 2
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -945.031260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.031260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.031260 (E_RNA)
where:
Base-Base interactions energy: -452.144
where: short stacking energy: -274.802
Base-Backbone interact. energy: 1.065
local terms energy: -493.951844
where:
bonds (distance) C4'-P energy: -134.092
bonds (distance) P-C4' energy: -156.990
flat angles C4'-P-C4' energy: -124.035
flat angles P-C4'-P energy: -62.371
tors. eta vs tors. theta energy: -16.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -808.599738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.599738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.599738 (E_RNA)
where:
Base-Base interactions energy: -366.367
where: short stacking energy: -223.839
Base-Backbone interact. energy: -1.042
local terms energy: -441.191024
where:
bonds (distance) C4'-P energy: -126.007
bonds (distance) P-C4' energy: -145.548
flat angles C4'-P-C4' energy: -132.311
flat angles P-C4'-P energy: -57.309
tors. eta vs tors. theta energy: 19.984
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: 1, replica: 7
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -3051.271286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3051.271286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3051.271286 (E_RNA)
where:
Base-Base interactions energy: -2081.879
where: short stacking energy: -875.740
Base-Backbone interact. energy: -2.769
local terms energy: -966.622639
where:
bonds (distance) C4'-P energy: -181.662
bonds (distance) P-C4' energy: -183.883
flat angles C4'-P-C4' energy: -198.275
flat angles P-C4'-P energy: -135.220
tors. eta vs tors. theta energy: -267.582
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: 10
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -2848.134952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2848.134952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2848.134952 (E_RNA)
where:
Base-Base interactions energy: -1929.896
where: short stacking energy: -821.180
Base-Backbone interact. energy: 4.552
local terms energy: -922.791676
where:
bonds (distance) C4'-P energy: -179.093
bonds (distance) P-C4' energy: -182.588
flat angles C4'-P-C4' energy: -192.830
flat angles P-C4'-P energy: -133.839
tors. eta vs tors. theta energy: -234.442
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: 3, replica: 3
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -2756.889723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2756.889723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2756.889723 (E_RNA)
where:
Base-Base interactions energy: -1895.022
where: short stacking energy: -758.949
Base-Backbone interact. energy: 0.674
local terms energy: -862.542060
where:
bonds (distance) C4'-P energy: -159.317
bonds (distance) P-C4' energy: -183.363
flat angles C4'-P-C4' energy: -188.220
flat angles P-C4'-P energy: -117.276
tors. eta vs tors. theta energy: -214.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -2548.231878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2548.231878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2548.231878 (E_RNA)
where:
Base-Base interactions energy: -1687.876
where: short stacking energy: -745.604
Base-Backbone interact. energy: 1.086
local terms energy: -861.442631
where:
bonds (distance) C4'-P energy: -159.549
bonds (distance) P-C4' energy: -177.474
flat angles C4'-P-C4' energy: -169.754
flat angles P-C4'-P energy: -132.381
tors. eta vs tors. theta energy: -222.284
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: 1
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -2376.365184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2376.365184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2376.365184 (E_RNA)
where:
Base-Base interactions energy: -1613.090
where: short stacking energy: -681.854
Base-Backbone interact. energy: -4.344
local terms energy: -758.931432
where:
bonds (distance) C4'-P energy: -128.004
bonds (distance) P-C4' energy: -161.011
flat angles C4'-P-C4' energy: -189.186
flat angles P-C4'-P energy: -99.069
tors. eta vs tors. theta energy: -181.663
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: 6, replica: 6
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -2155.269130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2155.269130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2155.269130 (E_RNA)
where:
Base-Base interactions energy: -1433.203
where: short stacking energy: -624.857
Base-Backbone interact. energy: -1.659
local terms energy: -720.406842
where:
bonds (distance) C4'-P energy: -147.713
bonds (distance) P-C4' energy: -152.691
flat angles C4'-P-C4' energy: -159.873
flat angles P-C4'-P energy: -102.081
tors. eta vs tors. theta energy: -158.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -1408.832038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.832038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.832038 (E_RNA)
where:
Base-Base interactions energy: -786.200
where: short stacking energy: -387.673
Base-Backbone interact. energy: -4.355
local terms energy: -618.277503
where:
bonds (distance) C4'-P energy: -139.860
bonds (distance) P-C4' energy: -172.380
flat angles C4'-P-C4' energy: -142.244
flat angles P-C4'-P energy: -94.274
tors. eta vs tors. theta energy: -69.520
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: 8, replica: 9
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -1328.231330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.231330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.231330 (E_RNA)
where:
Base-Base interactions energy: -732.158
where: short stacking energy: -348.724
Base-Backbone interact. energy: 2.388
local terms energy: -598.460860
where:
bonds (distance) C4'-P energy: -141.204
bonds (distance) P-C4' energy: -144.581
flat angles C4'-P-C4' energy: -146.814
flat angles P-C4'-P energy: -115.368
tors. eta vs tors. theta energy: -50.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -995.697751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.697751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.697751 (E_RNA)
where:
Base-Base interactions energy: -515.872
where: short stacking energy: -264.329
Base-Backbone interact. energy: -1.899
local terms energy: -477.927209
where:
bonds (distance) C4'-P energy: -135.458
bonds (distance) P-C4' energy: -143.207
flat angles C4'-P-C4' energy: -131.181
flat angles P-C4'-P energy: -82.329
tors. eta vs tors. theta energy: 14.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -738.059876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.059876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.059876 (E_RNA)
where:
Base-Base interactions energy: -300.668
where: short stacking energy: -197.615
Base-Backbone interact. energy: -2.693
local terms energy: -434.698975
where:
bonds (distance) C4'-P energy: -148.373
bonds (distance) P-C4' energy: -139.414
flat angles C4'-P-C4' energy: -104.967
flat angles P-C4'-P energy: -66.015
tors. eta vs tors. theta energy: 24.070
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: 7
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -2995.038851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2995.038851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2995.038851 (E_RNA)
where:
Base-Base interactions energy: -2063.339
where: short stacking energy: -877.440
Base-Backbone interact. energy: -0.123
local terms energy: -931.576832
where:
bonds (distance) C4'-P energy: -169.383
bonds (distance) P-C4' energy: -170.935
flat angles C4'-P-C4' energy: -203.060
flat angles P-C4'-P energy: -123.604
tors. eta vs tors. theta energy: -264.595
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: 10
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -2840.637422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2840.637422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2840.637422 (E_RNA)
where:
Base-Base interactions energy: -1948.378
where: short stacking energy: -822.431
Base-Backbone interact. energy: -0.206
local terms energy: -892.053044
where:
bonds (distance) C4'-P energy: -147.420
bonds (distance) P-C4' energy: -183.135
flat angles C4'-P-C4' energy: -203.101
flat angles P-C4'-P energy: -125.593
tors. eta vs tors. theta energy: -232.804
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: 3
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -2690.148180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2690.148180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2690.148180 (E_RNA)
where:
Base-Base interactions energy: -1877.992
where: short stacking energy: -758.235
Base-Backbone interact. energy: -3.328
local terms energy: -808.828140
where:
bonds (distance) C4'-P energy: -160.616
bonds (distance) P-C4' energy: -153.251
flat angles C4'-P-C4' energy: -181.437
flat angles P-C4'-P energy: -101.441
tors. eta vs tors. theta energy: -212.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -2471.454279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2471.454279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2471.454279 (E_RNA)
where:
Base-Base interactions energy: -1608.631
where: short stacking energy: -754.587
Base-Backbone interact. energy: -4.533
local terms energy: -858.289544
where:
bonds (distance) C4'-P energy: -173.910
bonds (distance) P-C4' energy: -165.188
flat angles C4'-P-C4' energy: -183.275
flat angles P-C4'-P energy: -119.803
tors. eta vs tors. theta energy: -216.113
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: 1
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -2379.929142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2379.929142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2379.929142 (E_RNA)
where:
Base-Base interactions energy: -1579.332
where: short stacking energy: -686.340
Base-Backbone interact. energy: -1.687
local terms energy: -798.909728
where:
bonds (distance) C4'-P energy: -134.631
bonds (distance) P-C4' energy: -160.047
flat angles C4'-P-C4' energy: -180.861
flat angles P-C4'-P energy: -121.332
tors. eta vs tors. theta energy: -202.037
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: 6
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -2138.886100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.886100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.886100 (E_RNA)
where:
Base-Base interactions energy: -1408.773
where: short stacking energy: -610.965
Base-Backbone interact. energy: 1.059
local terms energy: -731.171513
where:
bonds (distance) C4'-P energy: -138.374
bonds (distance) P-C4' energy: -161.785
flat angles C4'-P-C4' energy: -162.143
flat angles P-C4'-P energy: -109.061
tors. eta vs tors. theta energy: -159.807
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: 7, replica: 9
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -1507.126857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.126857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.126857 (E_RNA)
where:
Base-Base interactions energy: -898.678
where: short stacking energy: -457.065
Base-Backbone interact. energy: -2.469
local terms energy: -605.980245
where:
bonds (distance) C4'-P energy: -132.420
bonds (distance) P-C4' energy: -151.511
flat angles C4'-P-C4' energy: -135.797
flat angles P-C4'-P energy: -93.997
tors. eta vs tors. theta energy: -92.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -1324.385460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.385460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.385460 (E_RNA)
where:
Base-Base interactions energy: -758.632
where: short stacking energy: -389.039
Base-Backbone interact. energy: -1.049
local terms energy: -564.704244
where:
bonds (distance) C4'-P energy: -142.419
bonds (distance) P-C4' energy: -134.075
flat angles C4'-P-C4' energy: -147.062
flat angles P-C4'-P energy: -86.830
tors. eta vs tors. theta energy: -54.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -981.572362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.572362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.572362 (E_RNA)
where:
Base-Base interactions energy: -507.003
where: short stacking energy: -295.335
Base-Backbone interact. energy: -1.881
local terms energy: -472.687719
where:
bonds (distance) C4'-P energy: -130.271
bonds (distance) P-C4' energy: -160.712
flat angles C4'-P-C4' energy: -127.754
flat angles P-C4'-P energy: -61.649
tors. eta vs tors. theta energy: 7.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -734.972930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.972930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.972930 (E_RNA)
where:
Base-Base interactions energy: -279.321
where: short stacking energy: -195.461
Base-Backbone interact. energy: -0.056
local terms energy: -455.596171
where:
bonds (distance) C4'-P energy: -123.360
bonds (distance) P-C4' energy: -149.692
flat angles C4'-P-C4' energy: -121.327
flat angles P-C4'-P energy: -79.641
tors. eta vs tors. theta energy: 18.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -2998.261478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2998.261478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2998.261478 (E_RNA)
where:
Base-Base interactions energy: -2049.939
where: short stacking energy: -858.464
Base-Backbone interact. energy: -2.395
local terms energy: -945.927091
where:
bonds (distance) C4'-P energy: -168.881
bonds (distance) P-C4' energy: -182.711
flat angles C4'-P-C4' energy: -198.625
flat angles P-C4'-P energy: -137.668
tors. eta vs tors. theta energy: -258.042
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: 221
Temperature: 0.950000
Total energy: -2798.363574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2798.363574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2798.363574 (E_RNA)
where:
Base-Base interactions energy: -1897.934
where: short stacking energy: -807.321
Base-Backbone interact. energy: -3.452
local terms energy: -896.977523
where:
bonds (distance) C4'-P energy: -167.081
bonds (distance) P-C4' energy: -168.372
flat angles C4'-P-C4' energy: -195.727
flat angles P-C4'-P energy: -126.834
tors. eta vs tors. theta energy: -238.963
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: 3
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -2713.985109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2713.985109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2713.985109 (E_RNA)
where:
Base-Base interactions energy: -1860.147
where: short stacking energy: -782.536
Base-Backbone interact. energy: -5.447
local terms energy: -848.391439
where:
bonds (distance) C4'-P energy: -163.740
bonds (distance) P-C4' energy: -167.560
flat angles C4'-P-C4' energy: -174.647
flat angles P-C4'-P energy: -123.317
tors. eta vs tors. theta energy: -219.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -2440.803699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2440.803699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2440.803699 (E_RNA)
where:
Base-Base interactions energy: -1625.832
where: short stacking energy: -729.111
Base-Backbone interact. energy: 5.351
local terms energy: -820.322789
where:
bonds (distance) C4'-P energy: -163.411
bonds (distance) P-C4' energy: -155.876
flat angles C4'-P-C4' energy: -178.350
flat angles P-C4'-P energy: -109.527
tors. eta vs tors. theta energy: -213.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -2424.818332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2424.818332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2424.818332 (E_RNA)
where:
Base-Base interactions energy: -1638.534
where: short stacking energy: -663.501
Base-Backbone interact. energy: -0.294
local terms energy: -785.990106
where:
bonds (distance) C4'-P energy: -153.528
bonds (distance) P-C4' energy: -167.482
flat angles C4'-P-C4' energy: -174.399
flat angles P-C4'-P energy: -94.491
tors. eta vs tors. theta energy: -196.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -2125.223432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.223432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.223432 (E_RNA)
where:
Base-Base interactions energy: -1370.810
where: short stacking energy: -591.261
Base-Backbone interact. energy: -0.671
local terms energy: -754.246423
where:
bonds (distance) C4'-P energy: -152.084
bonds (distance) P-C4' energy: -164.691
flat angles C4'-P-C4' energy: -178.052
flat angles P-C4'-P energy: -101.820
tors. eta vs tors. theta energy: -157.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.505 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -1443.278700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.278700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1443.278700 (E_RNA)
where:
Base-Base interactions energy: -820.594
where: short stacking energy: -393.665
Base-Backbone interact. energy: 0.408
local terms energy: -623.092588
where:
bonds (distance) C4'-P energy: -164.202
bonds (distance) P-C4' energy: -164.384
flat angles C4'-P-C4' energy: -145.001
flat angles P-C4'-P energy: -84.250
tors. eta vs tors. theta energy: -65.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -1306.906242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.906242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.906242 (E_RNA)
where:
Base-Base interactions energy: -725.405
where: short stacking energy: -332.183
Base-Backbone interact. energy: 0.657
local terms energy: -582.158136
where:
bonds (distance) C4'-P energy: -141.688
bonds (distance) P-C4' energy: -156.908
flat angles C4'-P-C4' energy: -164.381
flat angles P-C4'-P energy: -75.441
tors. eta vs tors. theta energy: -43.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -986.894853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.894853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.894853 (E_RNA)
where:
Base-Base interactions energy: -481.787
where: short stacking energy: -266.628
Base-Backbone interact. energy: 7.369
local terms energy: -512.477586
where:
bonds (distance) C4'-P energy: -144.824
bonds (distance) P-C4' energy: -139.577
flat angles C4'-P-C4' energy: -141.345
flat angles P-C4'-P energy: -95.933
tors. eta vs tors. theta energy: 9.202
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: 4
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -769.133273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.133273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.133273 (E_RNA)
where:
Base-Base interactions energy: -324.346
where: short stacking energy: -194.919
Base-Backbone interact. energy: 14.406
local terms energy: -459.193484
where:
bonds (distance) C4'-P energy: -143.695
bonds (distance) P-C4' energy: -167.172
flat angles C4'-P-C4' energy: -135.623
flat angles P-C4'-P energy: -64.169
tors. eta vs tors. theta energy: 51.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -2996.183675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2996.183675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2996.183675 (E_RNA)
where:
Base-Base interactions energy: -2048.608
where: short stacking energy: -856.723
Base-Backbone interact. energy: -2.510
local terms energy: -945.065014
where:
bonds (distance) C4'-P energy: -171.732
bonds (distance) P-C4' energy: -187.251
flat angles C4'-P-C4' energy: -190.780
flat angles P-C4'-P energy: -133.087
tors. eta vs tors. theta energy: -262.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -2855.704413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2855.704413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2855.704413 (E_RNA)
where:
Base-Base interactions energy: -1949.598
where: short stacking energy: -863.545
Base-Backbone interact. energy: -3.447
local terms energy: -902.659929
where:
bonds (distance) C4'-P energy: -162.690
bonds (distance) P-C4' energy: -167.722
flat angles C4'-P-C4' energy: -202.096
flat angles P-C4'-P energy: -121.612
tors. eta vs tors. theta energy: -248.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -2729.726580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2729.726580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2729.726580 (E_RNA)
where:
Base-Base interactions energy: -1873.351
where: short stacking energy: -766.132
Base-Backbone interact. energy: -2.693
local terms energy: -853.683341
where:
bonds (distance) C4'-P energy: -171.355
bonds (distance) P-C4' energy: -168.737
flat angles C4'-P-C4' energy: -175.691
flat angles P-C4'-P energy: -126.518
tors. eta vs tors. theta energy: -211.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -2355.964136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2355.964136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2355.964136 (E_RNA)
where:
Base-Base interactions energy: -1591.419
where: short stacking energy: -676.376
Base-Backbone interact. energy: -2.241
local terms energy: -762.304158
where:
bonds (distance) C4'-P energy: -140.721
bonds (distance) P-C4' energy: -153.222
flat angles C4'-P-C4' energy: -186.869
flat angles P-C4'-P energy: -101.627
tors. eta vs tors. theta energy: -179.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -2404.467229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2404.467229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2404.467229 (E_RNA)
where:
Base-Base interactions energy: -1625.968
where: short stacking energy: -671.553
Base-Backbone interact. energy: -1.453
local terms energy: -777.046965
where:
bonds (distance) C4'-P energy: -139.954
bonds (distance) P-C4' energy: -150.165
flat angles C4'-P-C4' energy: -172.182
flat angles P-C4'-P energy: -103.937
tors. eta vs tors. theta energy: -210.809
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: 6, replica: 6
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -2124.389642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.389642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.389642 (E_RNA)
where:
Base-Base interactions energy: -1385.805
where: short stacking energy: -576.881
Base-Backbone interact. energy: 0.405
local terms energy: -738.990182
where:
bonds (distance) C4'-P energy: -138.966
bonds (distance) P-C4' energy: -174.594
flat angles C4'-P-C4' energy: -164.548
flat angles P-C4'-P energy: -113.365
tors. eta vs tors. theta energy: -147.517
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: 9
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -1483.079038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.079038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.079038 (E_RNA)
where:
Base-Base interactions energy: -879.345
where: short stacking energy: -406.133
Base-Backbone interact. energy: -0.213
local terms energy: -603.521791
where:
bonds (distance) C4'-P energy: -134.916
bonds (distance) P-C4' energy: -154.794
flat angles C4'-P-C4' energy: -167.960
flat angles P-C4'-P energy: -86.859
tors. eta vs tors. theta energy: -58.993
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: 8
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -1186.036431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.036431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.036431 (E_RNA)
where:
Base-Base interactions energy: -659.714
where: short stacking energy: -335.090
Base-Backbone interact. energy: 0.854
local terms energy: -527.176976
where:
bonds (distance) C4'-P energy: -142.147
bonds (distance) P-C4' energy: -153.188
flat angles C4'-P-C4' energy: -118.695
flat angles P-C4'-P energy: -95.467
tors. eta vs tors. theta energy: -17.681
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: 2
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -944.269456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.269456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.269456 (E_RNA)
where:
Base-Base interactions energy: -475.392
where: short stacking energy: -280.192
Base-Backbone interact. energy: 0.065
local terms energy: -468.942723
where:
bonds (distance) C4'-P energy: -135.863
bonds (distance) P-C4' energy: -152.721
flat angles C4'-P-C4' energy: -129.702
flat angles P-C4'-P energy: -75.528
tors. eta vs tors. theta energy: 24.870
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: 4
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -828.175327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.175327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.175327 (E_RNA)
where:
Base-Base interactions energy: -406.642
where: short stacking energy: -240.515
Base-Backbone interact. energy: 4.840
local terms energy: -426.373230
where:
bonds (distance) C4'-P energy: -126.319
bonds (distance) P-C4' energy: -144.770
flat angles C4'-P-C4' energy: -121.068
flat angles P-C4'-P energy: -56.885
tors. eta vs tors. theta energy: 22.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -3002.304821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3002.304821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3002.304821 (E_RNA)
where:
Base-Base interactions energy: -2034.493
where: short stacking energy: -864.359
Base-Backbone interact. energy: 4.290
local terms energy: -972.102379
where:
bonds (distance) C4'-P energy: -207.153
bonds (distance) P-C4' energy: -178.495
flat angles C4'-P-C4' energy: -197.232
flat angles P-C4'-P energy: -121.899
tors. eta vs tors. theta energy: -267.324
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: 10
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -2846.081991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2846.081991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2846.081991 (E_RNA)
where:
Base-Base interactions energy: -1939.696
where: short stacking energy: -867.679
Base-Backbone interact. energy: -3.062
local terms energy: -903.324040
where:
bonds (distance) C4'-P energy: -170.301
bonds (distance) P-C4' energy: -158.279
flat angles C4'-P-C4' energy: -201.549
flat angles P-C4'-P energy: -124.771
tors. eta vs tors. theta energy: -248.424
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: 3
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -2724.780967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2724.780967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2724.780967 (E_RNA)
where:
Base-Base interactions energy: -1866.602
where: short stacking energy: -752.396
Base-Backbone interact. energy: -2.617
local terms energy: -855.561434
where:
bonds (distance) C4'-P energy: -155.367
bonds (distance) P-C4' energy: -182.837
flat angles C4'-P-C4' energy: -195.859
flat angles P-C4'-P energy: -108.314
tors. eta vs tors. theta energy: -213.184
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: 5
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -2369.531831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2369.531831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2369.531831 (E_RNA)
where:
Base-Base interactions energy: -1572.277
where: short stacking energy: -675.463
Base-Backbone interact. energy: -2.237
local terms energy: -795.016976
where:
bonds (distance) C4'-P energy: -175.606
bonds (distance) P-C4' energy: -161.699
flat angles C4'-P-C4' energy: -178.462
flat angles P-C4'-P energy: -95.615
tors. eta vs tors. theta energy: -183.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -2326.197671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2326.197671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2326.197671 (E_RNA)
where:
Base-Base interactions energy: -1567.411
where: short stacking energy: -676.119
Base-Backbone interact. energy: -5.552
local terms energy: -753.234559
where:
bonds (distance) C4'-P energy: -145.927
bonds (distance) P-C4' energy: -148.310
flat angles C4'-P-C4' energy: -164.493
flat angles P-C4'-P energy: -95.379
tors. eta vs tors. theta energy: -199.126
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: 6
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -2168.088890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2168.088890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.088890 (E_RNA)
where:
Base-Base interactions energy: -1422.833
where: short stacking energy: -599.799
Base-Backbone interact. energy: -1.523
local terms energy: -743.732964
where:
bonds (distance) C4'-P energy: -154.928
bonds (distance) P-C4' energy: -157.062
flat angles C4'-P-C4' energy: -171.555
flat angles P-C4'-P energy: -95.023
tors. eta vs tors. theta energy: -165.165
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: 7, replica: 9
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -1460.647874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.647874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.647874 (E_RNA)
where:
Base-Base interactions energy: -829.220
where: short stacking energy: -397.758
Base-Backbone interact. energy: -3.597
local terms energy: -627.831441
where:
bonds (distance) C4'-P energy: -144.895
bonds (distance) P-C4' energy: -161.159
flat angles C4'-P-C4' energy: -157.792
flat angles P-C4'-P energy: -94.102
tors. eta vs tors. theta energy: -69.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -1176.491446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.491446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.491446 (E_RNA)
where:
Base-Base interactions energy: -643.827
where: short stacking energy: -345.948
Base-Backbone interact. energy: 2.180
local terms energy: -534.844710
where:
bonds (distance) C4'-P energy: -139.753
bonds (distance) P-C4' energy: -154.993
flat angles C4'-P-C4' energy: -149.008
flat angles P-C4'-P energy: -79.383
tors. eta vs tors. theta energy: -11.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -939.390030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.390030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.390030 (E_RNA)
where:
Base-Base interactions energy: -435.321
where: short stacking energy: -253.806
Base-Backbone interact. energy: -0.183
local terms energy: -503.885998
where:
bonds (distance) C4'-P energy: -149.600
bonds (distance) P-C4' energy: -149.546
flat angles C4'-P-C4' energy: -142.797
flat angles P-C4'-P energy: -66.749
tors. eta vs tors. theta energy: 4.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -857.654184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.654184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.654184 (E_RNA)
where:
Base-Base interactions energy: -373.056
where: short stacking energy: -199.907
Base-Backbone interact. energy: 4.641
local terms energy: -489.238915
where:
bonds (distance) C4'-P energy: -148.574
bonds (distance) P-C4' energy: -162.959
flat angles C4'-P-C4' energy: -127.896
flat angles P-C4'-P energy: -67.513
tors. eta vs tors. theta energy: 17.702
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: 7
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -3012.071423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3012.071423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3012.071423 (E_RNA)
where:
Base-Base interactions energy: -2038.773
where: short stacking energy: -854.597
Base-Backbone interact. energy: -1.040
local terms energy: -972.258513
where:
bonds (distance) C4'-P energy: -177.045
bonds (distance) P-C4' energy: -179.673
flat angles C4'-P-C4' energy: -199.702
flat angles P-C4'-P energy: -144.240
tors. eta vs tors. theta energy: -271.598
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: 224
Temperature: 0.950000
Total energy: -2834.966823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2834.966823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2834.966823 (E_RNA)
where:
Base-Base interactions energy: -1937.853
where: short stacking energy: -848.783
Base-Backbone interact. energy: 3.034
local terms energy: -900.147415
where:
bonds (distance) C4'-P energy: -155.879
bonds (distance) P-C4' energy: -162.012
flat angles C4'-P-C4' energy: -196.843
flat angles P-C4'-P energy: -141.355
tors. eta vs tors. theta energy: -244.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -2710.780902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2710.780902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2710.780902 (E_RNA)
where:
Base-Base interactions energy: -1876.534
where: short stacking energy: -757.358
Base-Backbone interact. energy: -4.178
local terms energy: -830.068706
where:
bonds (distance) C4'-P energy: -169.366
bonds (distance) P-C4' energy: -158.538
flat angles C4'-P-C4' energy: -181.735
flat angles P-C4'-P energy: -115.583
tors. eta vs tors. theta energy: -204.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -2437.423136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2437.423136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2437.423136 (E_RNA)
where:
Base-Base interactions energy: -1641.031
where: short stacking energy: -706.197
Base-Backbone interact. energy: -1.138
local terms energy: -795.254583
where:
bonds (distance) C4'-P energy: -152.879
bonds (distance) P-C4' energy: -164.577
flat angles C4'-P-C4' energy: -178.167
flat angles P-C4'-P energy: -104.365
tors. eta vs tors. theta energy: -195.266
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: 1
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -2353.973870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2353.973870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2353.973870 (E_RNA)
where:
Base-Base interactions energy: -1542.867
where: short stacking energy: -663.050
Base-Backbone interact. energy: -2.155
local terms energy: -808.951398
where:
bonds (distance) C4'-P energy: -162.436
bonds (distance) P-C4' energy: -173.358
flat angles C4'-P-C4' energy: -158.558
flat angles P-C4'-P energy: -113.903
tors. eta vs tors. theta energy: -200.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -2177.774817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.774817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2177.774817 (E_RNA)
where:
Base-Base interactions energy: -1425.594
where: short stacking energy: -598.042
Base-Backbone interact. energy: -4.831
local terms energy: -747.350543
where:
bonds (distance) C4'-P energy: -142.368
bonds (distance) P-C4' energy: -170.462
flat angles C4'-P-C4' energy: -179.434
flat angles P-C4'-P energy: -108.510
tors. eta vs tors. theta energy: -146.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -1499.578875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.578875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1499.578875 (E_RNA)
where:
Base-Base interactions energy: -863.696
where: short stacking energy: -436.573
Base-Backbone interact. energy: -0.427
local terms energy: -635.455370
where:
bonds (distance) C4'-P energy: -135.381
bonds (distance) P-C4' energy: -169.187
flat angles C4'-P-C4' energy: -136.066
flat angles P-C4'-P energy: -92.028
tors. eta vs tors. theta energy: -102.794
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: 8
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -1164.223416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.223416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.223416 (E_RNA)
where:
Base-Base interactions energy: -595.786
where: short stacking energy: -325.643
Base-Backbone interact. energy: 4.066
local terms energy: -572.503169
where:
bonds (distance) C4'-P energy: -159.681
bonds (distance) P-C4' energy: -144.232
flat angles C4'-P-C4' energy: -147.357
flat angles P-C4'-P energy: -86.796
tors. eta vs tors. theta energy: -34.437
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: 9, replica: 2
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -944.732107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.732107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.732107 (E_RNA)
where:
Base-Base interactions energy: -446.349
where: short stacking energy: -274.124
Base-Backbone interact. energy: 1.623
local terms energy: -500.005604
where:
bonds (distance) C4'-P energy: -143.014
bonds (distance) P-C4' energy: -150.416
flat angles C4'-P-C4' energy: -139.618
flat angles P-C4'-P energy: -60.836
tors. eta vs tors. theta energy: -6.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -860.260339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.260339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.260339 (E_RNA)
where:
Base-Base interactions energy: -425.222
where: short stacking energy: -214.598
Base-Backbone interact. energy: 3.352
local terms energy: -438.390901
where:
bonds (distance) C4'-P energy: -116.262
bonds (distance) P-C4' energy: -146.606
flat angles C4'-P-C4' energy: -112.273
flat angles P-C4'-P energy: -81.877
tors. eta vs tors. theta energy: 18.627
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: 7
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -3030.518928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3030.518928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3030.518928 (E_RNA)
where:
Base-Base interactions energy: -2056.778
where: short stacking energy: -840.096
Base-Backbone interact. energy: -1.323
local terms energy: -972.417221
where:
bonds (distance) C4'-P energy: -186.353
bonds (distance) P-C4' energy: -171.712
flat angles C4'-P-C4' energy: -198.967
flat angles P-C4'-P energy: -137.570
tors. eta vs tors. theta energy: -277.816
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: 10
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -2831.866439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2831.866439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2831.866439 (E_RNA)
where:
Base-Base interactions energy: -1914.863
where: short stacking energy: -852.537
Base-Backbone interact. energy: -1.859
local terms energy: -915.144848
where:
bonds (distance) C4'-P energy: -175.110
bonds (distance) P-C4' energy: -175.487
flat angles C4'-P-C4' energy: -202.176
flat angles P-C4'-P energy: -127.393
tors. eta vs tors. theta energy: -234.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -2736.224221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2736.224221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2736.224221 (E_RNA)
where:
Base-Base interactions energy: -1865.662
where: short stacking energy: -763.101
Base-Backbone interact. energy: 0.461
local terms energy: -871.023303
where:
bonds (distance) C4'-P energy: -165.701
bonds (distance) P-C4' energy: -170.714
flat angles C4'-P-C4' energy: -186.701
flat angles P-C4'-P energy: -120.603
tors. eta vs tors. theta energy: -227.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -2508.360559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2508.360559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2508.360559 (E_RNA)
where:
Base-Base interactions energy: -1681.463
where: short stacking energy: -704.125
Base-Backbone interact. energy: -0.299
local terms energy: -826.598391
where:
bonds (distance) C4'-P energy: -151.327
bonds (distance) P-C4' energy: -159.096
flat angles C4'-P-C4' energy: -199.278
flat angles P-C4'-P energy: -110.962
tors. eta vs tors. theta energy: -205.935
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: 1
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -2381.732812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2381.732812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2381.732812 (E_RNA)
where:
Base-Base interactions energy: -1581.074
where: short stacking energy: -686.707
Base-Backbone interact. energy: 0.447
local terms energy: -801.105828
where:
bonds (distance) C4'-P energy: -143.510
bonds (distance) P-C4' energy: -165.142
flat angles C4'-P-C4' energy: -179.206
flat angles P-C4'-P energy: -111.376
tors. eta vs tors. theta energy: -201.872
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: 6
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -2229.093799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2229.093799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2229.093799 (E_RNA)
where:
Base-Base interactions energy: -1472.297
where: short stacking energy: -606.577
Base-Backbone interact. energy: -1.867
local terms energy: -754.929188
where:
bonds (distance) C4'-P energy: -162.924
bonds (distance) P-C4' energy: -152.982
flat angles C4'-P-C4' energy: -160.821
flat angles P-C4'-P energy: -100.385
tors. eta vs tors. theta energy: -177.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -1424.172699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.172699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.172699 (E_RNA)
where:
Base-Base interactions energy: -815.438
where: short stacking energy: -394.481
Base-Backbone interact. energy: 4.252
local terms energy: -612.986840
where:
bonds (distance) C4'-P energy: -146.052
bonds (distance) P-C4' energy: -147.990
flat angles C4'-P-C4' energy: -160.878
flat angles P-C4'-P energy: -85.130
tors. eta vs tors. theta energy: -72.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -1208.321357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.321357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.321357 (E_RNA)
where:
Base-Base interactions energy: -643.103
where: short stacking energy: -318.919
Base-Backbone interact. energy: 1.307
local terms energy: -566.525095
where:
bonds (distance) C4'-P energy: -148.145
bonds (distance) P-C4' energy: -164.197
flat angles C4'-P-C4' energy: -146.156
flat angles P-C4'-P energy: -80.471
tors. eta vs tors. theta energy: -27.557
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: 9, replica: 2
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -937.341506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.341506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.341506 (E_RNA)
where:
Base-Base interactions energy: -482.986
where: short stacking energy: -290.617
Base-Backbone interact. energy: 2.175
local terms energy: -456.530608
where:
bonds (distance) C4'-P energy: -131.164
bonds (distance) P-C4' energy: -122.680
flat angles C4'-P-C4' energy: -115.010
flat angles P-C4'-P energy: -74.561
tors. eta vs tors. theta energy: -13.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -865.532685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.532685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.532685 (E_RNA)
where:
Base-Base interactions energy: -424.743
where: short stacking energy: -262.760
Base-Backbone interact. energy: 0.761
local terms energy: -442.942462
where:
bonds (distance) C4'-P energy: -130.649
bonds (distance) P-C4' energy: -157.599
flat angles C4'-P-C4' energy: -112.522
flat angles P-C4'-P energy: -65.989
tors. eta vs tors. theta energy: 23.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.392 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -2989.096206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2989.096206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2989.096206 (E_RNA)
where:
Base-Base interactions energy: -2034.286
where: short stacking energy: -873.473
Base-Backbone interact. energy: -2.649
local terms energy: -952.161477
where:
bonds (distance) C4'-P energy: -169.321
bonds (distance) P-C4' energy: -171.182
flat angles C4'-P-C4' energy: -199.786
flat angles P-C4'-P energy: -142.049
tors. eta vs tors. theta energy: -269.823
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: 226
Temperature: 0.950000
Total energy: -2813.993542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2813.993542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2813.993542 (E_RNA)
where:
Base-Base interactions energy: -1912.788
where: short stacking energy: -825.909
Base-Backbone interact. energy: -2.401
local terms energy: -898.804500
where:
bonds (distance) C4'-P energy: -156.936
bonds (distance) P-C4' energy: -167.265
flat angles C4'-P-C4' energy: -197.445
flat angles P-C4'-P energy: -135.272
tors. eta vs tors. theta energy: -241.887
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: 3
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -2734.082538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2734.082538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2734.082538 (E_RNA)
where:
Base-Base interactions energy: -1867.297
where: short stacking energy: -751.599
Base-Backbone interact. energy: 0.144
local terms energy: -866.929951
where:
bonds (distance) C4'-P energy: -167.553
bonds (distance) P-C4' energy: -163.591
flat angles C4'-P-C4' energy: -187.756
flat angles P-C4'-P energy: -130.498
tors. eta vs tors. theta energy: -217.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -2579.372736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2579.372736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2579.372736 (E_RNA)
where:
Base-Base interactions energy: -1748.774
where: short stacking energy: -708.340
Base-Backbone interact. energy: -5.468
local terms energy: -825.130885
where:
bonds (distance) C4'-P energy: -178.473
bonds (distance) P-C4' energy: -165.399
flat angles C4'-P-C4' energy: -173.039
flat angles P-C4'-P energy: -116.970
tors. eta vs tors. theta energy: -191.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -2422.836285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2422.836285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2422.836285 (E_RNA)
where:
Base-Base interactions energy: -1629.038
where: short stacking energy: -719.715
Base-Backbone interact. energy: -0.370
local terms energy: -793.428741
where:
bonds (distance) C4'-P energy: -145.082
bonds (distance) P-C4' energy: -153.423
flat angles C4'-P-C4' energy: -175.078
flat angles P-C4'-P energy: -117.079
tors. eta vs tors. theta energy: -202.767
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: 6, replica: 6
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -2196.403817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.403817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.403817 (E_RNA)
where:
Base-Base interactions energy: -1457.965
where: short stacking energy: -583.874
Base-Backbone interact. energy: -1.426
local terms energy: -737.012547
where:
bonds (distance) C4'-P energy: -158.672
bonds (distance) P-C4' energy: -165.271
flat angles C4'-P-C4' energy: -171.420
flat angles P-C4'-P energy: -101.644
tors. eta vs tors. theta energy: -140.006
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: 9
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -1486.483010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.483010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.483010 (E_RNA)
where:
Base-Base interactions energy: -853.391
where: short stacking energy: -415.876
Base-Backbone interact. energy: -2.868
local terms energy: -631.232694
where:
bonds (distance) C4'-P energy: -140.735
bonds (distance) P-C4' energy: -180.726
flat angles C4'-P-C4' energy: -151.318
flat angles P-C4'-P energy: -89.693
tors. eta vs tors. theta energy: -68.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.008 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -1227.446077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.446077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.446077 (E_RNA)
where:
Base-Base interactions energy: -668.958
where: short stacking energy: -342.793
Base-Backbone interact. energy: -4.215
local terms energy: -554.273651
where:
bonds (distance) C4'-P energy: -156.192
bonds (distance) P-C4' energy: -130.664
flat angles C4'-P-C4' energy: -136.402
flat angles P-C4'-P energy: -86.327
tors. eta vs tors. theta energy: -44.689
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: 2
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -968.761970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.761970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.761970 (E_RNA)
where:
Base-Base interactions energy: -510.903
where: short stacking energy: -312.778
Base-Backbone interact. energy: -2.612
local terms energy: -455.247334
where:
bonds (distance) C4'-P energy: -105.457
bonds (distance) P-C4' energy: -158.026
flat angles C4'-P-C4' energy: -131.726
flat angles P-C4'-P energy: -69.892
tors. eta vs tors. theta energy: 9.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -842.411587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.411587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.411587 (E_RNA)
where:
Base-Base interactions energy: -366.025
where: short stacking energy: -248.706
Base-Backbone interact. energy: -2.504
local terms energy: -473.882214
where:
bonds (distance) C4'-P energy: -150.254
bonds (distance) P-C4' energy: -142.739
flat angles C4'-P-C4' energy: -117.294
flat angles P-C4'-P energy: -75.751
tors. eta vs tors. theta energy: 12.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -3044.191699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3044.191699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3044.191699 (E_RNA)
where:
Base-Base interactions energy: -2073.748
where: short stacking energy: -864.836
Base-Backbone interact. energy: -1.396
local terms energy: -969.047586
where:
bonds (distance) C4'-P energy: -173.234
bonds (distance) P-C4' energy: -192.642
flat angles C4'-P-C4' energy: -209.871
flat angles P-C4'-P energy: -138.624
tors. eta vs tors. theta energy: -254.677
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: 10
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -2796.290401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2796.290401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2796.290401 (E_RNA)
where:
Base-Base interactions energy: -1898.964
where: short stacking energy: -796.083
Base-Backbone interact. energy: 1.355
local terms energy: -898.681294
where:
bonds (distance) C4'-P energy: -170.070
bonds (distance) P-C4' energy: -179.416
flat angles C4'-P-C4' energy: -191.324
flat angles P-C4'-P energy: -133.637
tors. eta vs tors. theta energy: -224.233
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: 3, replica: 3
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -2766.807254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2766.807254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2766.807254 (E_RNA)
where:
Base-Base interactions energy: -1886.561
where: short stacking energy: -751.127
Base-Backbone interact. energy: -5.898
local terms energy: -874.348505
where:
bonds (distance) C4'-P energy: -181.098
bonds (distance) P-C4' energy: -166.462
flat angles C4'-P-C4' energy: -173.814
flat angles P-C4'-P energy: -123.513
tors. eta vs tors. theta energy: -229.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -2547.087129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2547.087129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2547.087129 (E_RNA)
where:
Base-Base interactions energy: -1714.155
where: short stacking energy: -722.486
Base-Backbone interact. energy: 2.172
local terms energy: -835.105000
where:
bonds (distance) C4'-P energy: -166.097
bonds (distance) P-C4' energy: -156.073
flat angles C4'-P-C4' energy: -174.025
flat angles P-C4'-P energy: -121.397
tors. eta vs tors. theta energy: -217.513
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: 1
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -2410.768190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2410.768190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2410.768190 (E_RNA)
where:
Base-Base interactions energy: -1620.431
where: short stacking energy: -668.732
Base-Backbone interact. energy: -2.008
local terms energy: -788.329361
where:
bonds (distance) C4'-P energy: -155.688
bonds (distance) P-C4' energy: -153.215
flat angles C4'-P-C4' energy: -163.675
flat angles P-C4'-P energy: -115.017
tors. eta vs tors. theta energy: -200.735
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: 6
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -2155.656580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2155.656580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2155.656580 (E_RNA)
where:
Base-Base interactions energy: -1428.301
where: short stacking energy: -580.829
Base-Backbone interact. energy: -5.690
local terms energy: -721.665348
where:
bonds (distance) C4'-P energy: -131.739
bonds (distance) P-C4' energy: -175.106
flat angles C4'-P-C4' energy: -174.655
flat angles P-C4'-P energy: -90.623
tors. eta vs tors. theta energy: -149.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -1542.885119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.885119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.885119 (E_RNA)
where:
Base-Base interactions energy: -929.792
where: short stacking energy: -470.019
Base-Backbone interact. energy: 1.975
local terms energy: -615.068317
where:
bonds (distance) C4'-P energy: -143.756
bonds (distance) P-C4' energy: -137.163
flat angles C4'-P-C4' energy: -137.142
flat angles P-C4'-P energy: -113.350
tors. eta vs tors. theta energy: -83.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -1224.334439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.334439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.334439 (E_RNA)
where:
Base-Base interactions energy: -639.015
where: short stacking energy: -323.339
Base-Backbone interact. energy: -2.097
local terms energy: -583.222975
where:
bonds (distance) C4'-P energy: -153.872
bonds (distance) P-C4' energy: -157.722
flat angles C4'-P-C4' energy: -144.276
flat angles P-C4'-P energy: -87.820
tors. eta vs tors. theta energy: -39.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -1050.414033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.414033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.414033 (E_RNA)
where:
Base-Base interactions energy: -518.365
where: short stacking energy: -296.248
Base-Backbone interact. energy: -0.073
local terms energy: -531.976870
where:
bonds (distance) C4'-P energy: -153.851
bonds (distance) P-C4' energy: -160.004
flat angles C4'-P-C4' energy: -132.654
flat angles P-C4'-P energy: -92.606
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: 4
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -878.366695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.366695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.366695 (E_RNA)
where:
Base-Base interactions energy: -416.060
where: short stacking energy: -234.000
Base-Backbone interact. energy: -1.222
local terms energy: -461.084174
where:
bonds (distance) C4'-P energy: -148.101
bonds (distance) P-C4' energy: -142.501
flat angles C4'-P-C4' energy: -126.363
flat angles P-C4'-P energy: -65.787
tors. eta vs tors. theta energy: 21.668
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: 7
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -3026.111924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3026.111924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3026.111924 (E_RNA)
where:
Base-Base interactions energy: -2060.705
where: short stacking energy: -871.371
Base-Backbone interact. energy: -1.801
local terms energy: -963.605556
where:
bonds (distance) C4'-P energy: -167.511
bonds (distance) P-C4' energy: -179.755
flat angles C4'-P-C4' energy: -209.214
flat angles P-C4'-P energy: -144.471
tors. eta vs tors. theta energy: -262.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -2820.719242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2820.719242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2820.719242 (E_RNA)
where:
Base-Base interactions energy: -1890.431
where: short stacking energy: -825.807
Base-Backbone interact. energy: -2.316
local terms energy: -927.972566
where:
bonds (distance) C4'-P energy: -171.904
bonds (distance) P-C4' energy: -169.670
flat angles C4'-P-C4' energy: -203.444
flat angles P-C4'-P energy: -123.768
tors. eta vs tors. theta energy: -259.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -2783.961220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2783.961220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2783.961220 (E_RNA)
where:
Base-Base interactions energy: -1928.202
where: short stacking energy: -799.711
Base-Backbone interact. energy: 4.307
local terms energy: -860.066711
where:
bonds (distance) C4'-P energy: -168.531
bonds (distance) P-C4' energy: -156.792
flat angles C4'-P-C4' energy: -171.844
flat angles P-C4'-P energy: -134.697
tors. eta vs tors. theta energy: -228.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -2541.629487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2541.629487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2541.629487 (E_RNA)
where:
Base-Base interactions energy: -1706.560
where: short stacking energy: -730.359
Base-Backbone interact. energy: -4.206
local terms energy: -830.863412
where:
bonds (distance) C4'-P energy: -141.032
bonds (distance) P-C4' energy: -169.281
flat angles C4'-P-C4' energy: -186.271
flat angles P-C4'-P energy: -107.868
tors. eta vs tors. theta energy: -226.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -2383.298802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2383.298802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2383.298802 (E_RNA)
where:
Base-Base interactions energy: -1592.954
where: short stacking energy: -694.158
Base-Backbone interact. energy: 2.813
local terms energy: -793.157023
where:
bonds (distance) C4'-P energy: -152.498
bonds (distance) P-C4' energy: -158.937
flat angles C4'-P-C4' energy: -177.846
flat angles P-C4'-P energy: -104.385
tors. eta vs tors. theta energy: -199.491
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: 6
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -2173.212400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.212400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2173.212400 (E_RNA)
where:
Base-Base interactions energy: -1451.117
where: short stacking energy: -579.143
Base-Backbone interact. energy: 3.617
local terms energy: -725.712487
where:
bonds (distance) C4'-P energy: -160.193
bonds (distance) P-C4' energy: -144.968
flat angles C4'-P-C4' energy: -169.896
flat angles P-C4'-P energy: -106.832
tors. eta vs tors. theta energy: -143.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -1635.148612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.148612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.148612 (E_RNA)
where:
Base-Base interactions energy: -988.856
where: short stacking energy: -476.067
Base-Backbone interact. energy: 0.591
local terms energy: -647.570901
where:
bonds (distance) C4'-P energy: -145.509
bonds (distance) P-C4' energy: -144.699
flat angles C4'-P-C4' energy: -154.829
flat angles P-C4'-P energy: -91.713
tors. eta vs tors. theta energy: -110.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.688 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -1226.415774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.415774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.415774 (E_RNA)
where:
Base-Base interactions energy: -678.534
where: short stacking energy: -357.646
Base-Backbone interact. energy: 2.442
local terms energy: -550.323777
where:
bonds (distance) C4'-P energy: -142.018
bonds (distance) P-C4' energy: -155.525
flat angles C4'-P-C4' energy: -134.061
flat angles P-C4'-P energy: -89.005
tors. eta vs tors. theta energy: -29.715
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: 2
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -1067.172490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.172490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.172490 (E_RNA)
where:
Base-Base interactions energy: -547.243
where: short stacking energy: -271.613
Base-Backbone interact. energy: -0.847
local terms energy: -519.081825
where:
bonds (distance) C4'-P energy: -150.073
bonds (distance) P-C4' energy: -170.560
flat angles C4'-P-C4' energy: -122.963
flat angles P-C4'-P energy: -76.013
tors. eta vs tors. theta energy: 0.527
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: 10, replica: 4
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -803.709454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.709454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.709454 (E_RNA)
where:
Base-Base interactions energy: -399.193
where: short stacking energy: -246.216
Base-Backbone interact. energy: 0.451
local terms energy: -404.967489
where:
bonds (distance) C4'-P energy: -113.731
bonds (distance) P-C4' energy: -137.178
flat angles C4'-P-C4' energy: -127.385
flat angles P-C4'-P energy: -59.366
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: 1, replica: 7
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -3016.761557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3016.761557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3016.761557 (E_RNA)
where:
Base-Base interactions energy: -2046.571
where: short stacking energy: -872.129
Base-Backbone interact. energy: -1.390
local terms energy: -968.801178
where:
bonds (distance) C4'-P energy: -179.714
bonds (distance) P-C4' energy: -187.479
flat angles C4'-P-C4' energy: -203.747
flat angles P-C4'-P energy: -135.767
tors. eta vs tors. theta energy: -262.095
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: 229
Temperature: 0.950000
Total energy: -2838.426534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2838.426534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2838.426534 (E_RNA)
where:
Base-Base interactions energy: -1917.742
where: short stacking energy: -813.755
Base-Backbone interact. energy: -6.252
local terms energy: -914.432920
where:
bonds (distance) C4'-P energy: -152.965
bonds (distance) P-C4' energy: -179.198
flat angles C4'-P-C4' energy: -195.461
flat angles P-C4'-P energy: -135.099
tors. eta vs tors. theta energy: -251.709
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: 3, replica: 3
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -2752.735697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2752.735697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2752.735697 (E_RNA)
where:
Base-Base interactions energy: -1890.069
where: short stacking energy: -779.286
Base-Backbone interact. energy: 0.407
local terms energy: -863.073528
where:
bonds (distance) C4'-P energy: -153.988
bonds (distance) P-C4' energy: -157.983
flat angles C4'-P-C4' energy: -207.815
flat angles P-C4'-P energy: -122.103
tors. eta vs tors. theta energy: -221.184
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: 5
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -2584.838507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2584.838507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2584.838507 (E_RNA)
where:
Base-Base interactions energy: -1724.826
where: short stacking energy: -740.925
Base-Backbone interact. energy: 1.542
local terms energy: -861.555384
where:
bonds (distance) C4'-P energy: -166.053
bonds (distance) P-C4' energy: -170.638
flat angles C4'-P-C4' energy: -188.352
flat angles P-C4'-P energy: -116.472
tors. eta vs tors. theta energy: -220.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -2276.194659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2276.194659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2276.194659 (E_RNA)
where:
Base-Base interactions energy: -1526.650
where: short stacking energy: -632.981
Base-Backbone interact. energy: -2.590
local terms energy: -746.954503
where:
bonds (distance) C4'-P energy: -146.078
bonds (distance) P-C4' energy: -161.158
flat angles C4'-P-C4' energy: -181.033
flat angles P-C4'-P energy: -96.740
tors. eta vs tors. theta energy: -161.946
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: 6
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -2185.689432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.689432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.689432 (E_RNA)
where:
Base-Base interactions energy: -1417.125
where: short stacking energy: -633.221
Base-Backbone interact. energy: -3.195
local terms energy: -765.369182
where:
bonds (distance) C4'-P energy: -153.642
bonds (distance) P-C4' energy: -152.531
flat angles C4'-P-C4' energy: -169.916
flat angles P-C4'-P energy: -130.289
tors. eta vs tors. theta energy: -158.991
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: 7, replica: 9
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -1567.321101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.321101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.321101 (E_RNA)
where:
Base-Base interactions energy: -951.451
where: short stacking energy: -473.496
Base-Backbone interact. energy: -2.076
local terms energy: -613.794704
where:
bonds (distance) C4'-P energy: -119.417
bonds (distance) P-C4' energy: -155.908
flat angles C4'-P-C4' energy: -140.982
flat angles P-C4'-P energy: -95.513
tors. eta vs tors. theta energy: -101.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -1256.206459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.206459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.206459 (E_RNA)
where:
Base-Base interactions energy: -674.248
where: short stacking energy: -320.777
Base-Backbone interact. energy: -5.088
local terms energy: -576.869759
where:
bonds (distance) C4'-P energy: -134.610
bonds (distance) P-C4' energy: -150.521
flat angles C4'-P-C4' energy: -126.622
flat angles P-C4'-P energy: -110.033
tors. eta vs tors. theta energy: -55.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -1051.094775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.094775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.094775 (E_RNA)
where:
Base-Base interactions energy: -552.815
where: short stacking energy: -253.226
Base-Backbone interact. energy: -0.983
local terms energy: -497.296217
where:
bonds (distance) C4'-P energy: -152.290
bonds (distance) P-C4' energy: -152.848
flat angles C4'-P-C4' energy: -124.978
flat angles P-C4'-P energy: -71.630
tors. eta vs tors. theta energy: 4.450
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: 4
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -774.548831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.548831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.548831 (E_RNA)
where:
Base-Base interactions energy: -306.408
where: short stacking energy: -185.026
Base-Backbone interact. energy: -3.441
local terms energy: -464.699293
where:
bonds (distance) C4'-P energy: -160.963
bonds (distance) P-C4' energy: -124.793
flat angles C4'-P-C4' energy: -139.898
flat angles P-C4'-P energy: -59.600
tors. eta vs tors. theta energy: 20.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -3024.618103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3024.618103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3024.618103 (E_RNA)
where:
Base-Base interactions energy: -2072.973
where: short stacking energy: -851.788
Base-Backbone interact. energy: -4.196
local terms energy: -947.448858
where:
bonds (distance) C4'-P energy: -177.877
bonds (distance) P-C4' energy: -170.442
flat angles C4'-P-C4' energy: -205.058
flat angles P-C4'-P energy: -128.478
tors. eta vs tors. theta energy: -265.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -2847.024951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2847.024951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2847.024951 (E_RNA)
where:
Base-Base interactions energy: -1925.343
where: short stacking energy: -831.866
Base-Backbone interact. energy: 1.089
local terms energy: -922.771027
where:
bonds (distance) C4'-P energy: -187.172
bonds (distance) P-C4' energy: -177.256
flat angles C4'-P-C4' energy: -191.280
flat angles P-C4'-P energy: -119.651
tors. eta vs tors. theta energy: -247.413
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: 3
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -2723.145734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2723.145734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2723.145734 (E_RNA)
where:
Base-Base interactions energy: -1859.816
where: short stacking energy: -745.929
Base-Backbone interact. energy: -3.922
local terms energy: -859.407292
where:
bonds (distance) C4'-P energy: -151.834
bonds (distance) P-C4' energy: -174.357
flat angles C4'-P-C4' energy: -199.651
flat angles P-C4'-P energy: -114.092
tors. eta vs tors. theta energy: -219.473
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: 4, replica: 5
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -2556.914289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2556.914289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2556.914289 (E_RNA)
where:
Base-Base interactions energy: -1729.271
where: short stacking energy: -740.583
Base-Backbone interact. energy: -0.129
local terms energy: -827.852537
where:
bonds (distance) C4'-P energy: -153.523
bonds (distance) P-C4' energy: -157.033
flat angles C4'-P-C4' energy: -195.675
flat angles P-C4'-P energy: -115.335
tors. eta vs tors. theta energy: -206.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.338 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -2303.573965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2303.573965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.573965 (E_RNA)
where:
Base-Base interactions energy: -1540.639
where: short stacking energy: -671.991
Base-Backbone interact. energy: -0.288
local terms energy: -762.646648
where:
bonds (distance) C4'-P energy: -153.810
bonds (distance) P-C4' energy: -151.760
flat angles C4'-P-C4' energy: -165.468
flat angles P-C4'-P energy: -105.989
tors. eta vs tors. theta energy: -185.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -2251.528412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2251.528412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.528412 (E_RNA)
where:
Base-Base interactions energy: -1516.392
where: short stacking energy: -640.665
Base-Backbone interact. energy: 3.221
local terms energy: -738.357540
where:
bonds (distance) C4'-P energy: -145.325
bonds (distance) P-C4' energy: -140.322
flat angles C4'-P-C4' energy: -171.148
flat angles P-C4'-P energy: -101.868
tors. eta vs tors. theta energy: -179.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -1517.483072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.483072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.483072 (E_RNA)
where:
Base-Base interactions energy: -883.742
where: short stacking energy: -406.330
Base-Backbone interact. energy: -2.195
local terms energy: -631.546117
where:
bonds (distance) C4'-P energy: -142.571
bonds (distance) P-C4' energy: -156.751
flat angles C4'-P-C4' energy: -156.481
flat angles P-C4'-P energy: -102.169
tors. eta vs tors. theta energy: -73.574
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: 8
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -1303.323167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.323167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.323167 (E_RNA)
where:
Base-Base interactions energy: -710.824
where: short stacking energy: -379.564
Base-Backbone interact. energy: -2.056
local terms energy: -590.443834
where:
bonds (distance) C4'-P energy: -144.338
bonds (distance) P-C4' energy: -143.600
flat angles C4'-P-C4' energy: -146.009
flat angles P-C4'-P energy: -97.592
tors. eta vs tors. theta energy: -58.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -1029.608871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.608871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.608871 (E_RNA)
where:
Base-Base interactions energy: -526.197
where: short stacking energy: -255.874
Base-Backbone interact. energy: 1.767
local terms energy: -505.179280
where:
bonds (distance) C4'-P energy: -134.132
bonds (distance) P-C4' energy: -147.767
flat angles C4'-P-C4' energy: -144.434
flat angles P-C4'-P energy: -83.758
tors. eta vs tors. theta energy: 4.912
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: 10, replica: 4
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -792.633236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.633236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.633236 (E_RNA)
where:
Base-Base interactions energy: -301.652
where: short stacking energy: -194.691
Base-Backbone interact. energy: 10.030
local terms energy: -501.011623
where:
bonds (distance) C4'-P energy: -150.963
bonds (distance) P-C4' energy: -161.388
flat angles C4'-P-C4' energy: -135.190
flat angles P-C4'-P energy: -88.344
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: 1, replica: 7
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -2998.390217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2998.390217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2998.390217 (E_RNA)
where:
Base-Base interactions energy: -2043.317
where: short stacking energy: -860.618
Base-Backbone interact. energy: -2.701
local terms energy: -952.371470
where:
bonds (distance) C4'-P energy: -179.115
bonds (distance) P-C4' energy: -176.687
flat angles C4'-P-C4' energy: -193.299
flat angles P-C4'-P energy: -139.528
tors. eta vs tors. theta energy: -263.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -2858.897651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2858.897651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2858.897651 (E_RNA)
where:
Base-Base interactions energy: -1923.399
where: short stacking energy: -842.082
Base-Backbone interact. energy: -2.274
local terms energy: -933.225386
where:
bonds (distance) C4'-P energy: -175.420
bonds (distance) P-C4' energy: -168.281
flat angles C4'-P-C4' energy: -195.071
flat angles P-C4'-P energy: -131.987
tors. eta vs tors. theta energy: -262.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -2755.428938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2755.428938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2755.428938 (E_RNA)
where:
Base-Base interactions energy: -1892.885
where: short stacking energy: -754.600
Base-Backbone interact. energy: -6.536
local terms energy: -856.007099
where:
bonds (distance) C4'-P energy: -162.720
bonds (distance) P-C4' energy: -164.007
flat angles C4'-P-C4' energy: -189.941
flat angles P-C4'-P energy: -122.361
tors. eta vs tors. theta energy: -216.978
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: 4, replica: 5
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -2536.422651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2536.422651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2536.422651 (E_RNA)
where:
Base-Base interactions energy: -1683.467
where: short stacking energy: -750.019
Base-Backbone interact. energy: -3.568
local terms energy: -849.387562
where:
bonds (distance) C4'-P energy: -141.722
bonds (distance) P-C4' energy: -169.105
flat angles C4'-P-C4' energy: -196.912
flat angles P-C4'-P energy: -126.270
tors. eta vs tors. theta energy: -215.378
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: 6
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -2331.740152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2331.740152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2331.740152 (E_RNA)
where:
Base-Base interactions energy: -1549.853
where: short stacking energy: -640.436
Base-Backbone interact. energy: -0.445
local terms energy: -781.442023
where:
bonds (distance) C4'-P energy: -151.131
bonds (distance) P-C4' energy: -168.944
flat angles C4'-P-C4' energy: -184.499
flat angles P-C4'-P energy: -103.113
tors. eta vs tors. theta energy: -173.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -2216.443588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.443588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2216.443588 (E_RNA)
where:
Base-Base interactions energy: -1464.277
where: short stacking energy: -577.639
Base-Backbone interact. energy: 3.096
local terms energy: -755.261992
where:
bonds (distance) C4'-P energy: -136.424
bonds (distance) P-C4' energy: -157.947
flat angles C4'-P-C4' energy: -181.923
flat angles P-C4'-P energy: -122.566
tors. eta vs tors. theta energy: -156.402
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: 9
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -1560.154230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.154230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.154230 (E_RNA)
where:
Base-Base interactions energy: -902.369
where: short stacking energy: -429.706
Base-Backbone interact. energy: -7.024
local terms energy: -650.761381
where:
bonds (distance) C4'-P energy: -158.812
bonds (distance) P-C4' energy: -133.332
flat angles C4'-P-C4' energy: -156.836
flat angles P-C4'-P energy: -119.877
tors. eta vs tors. theta energy: -81.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -1242.958510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.958510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.958510 (E_RNA)
where:
Base-Base interactions energy: -665.576
where: short stacking energy: -350.775
Base-Backbone interact. energy: 1.100
local terms energy: -578.482889
where:
bonds (distance) C4'-P energy: -143.944
bonds (distance) P-C4' energy: -161.950
flat angles C4'-P-C4' energy: -133.635
flat angles P-C4'-P energy: -90.168
tors. eta vs tors. theta energy: -48.785
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: 9, replica: 2
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -1081.241896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.241896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.241896 (E_RNA)
where:
Base-Base interactions energy: -557.606
where: short stacking energy: -314.792
Base-Backbone interact. energy: 0.757
local terms energy: -524.393054
where:
bonds (distance) C4'-P energy: -144.920
bonds (distance) P-C4' energy: -153.667
flat angles C4'-P-C4' energy: -146.888
flat angles P-C4'-P energy: -78.648
tors. eta vs tors. theta energy: -0.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -741.700765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.700765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.700765 (E_RNA)
where:
Base-Base interactions energy: -287.006
where: short stacking energy: -187.652
Base-Backbone interact. energy: 3.523
local terms energy: -458.218282
where:
bonds (distance) C4'-P energy: -147.489
bonds (distance) P-C4' energy: -151.851
flat angles C4'-P-C4' energy: -123.085
flat angles P-C4'-P energy: -64.025
tors. eta vs tors. theta energy: 28.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -3014.845499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3014.845499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3014.845499 (E_RNA)
where:
Base-Base interactions energy: -2059.449
where: short stacking energy: -859.069
Base-Backbone interact. energy: -4.844
local terms energy: -950.551893
where:
bonds (distance) C4'-P energy: -176.638
bonds (distance) P-C4' energy: -175.652
flat angles C4'-P-C4' energy: -202.521
flat angles P-C4'-P energy: -144.291
tors. eta vs tors. theta energy: -251.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -2846.294352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2846.294352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2846.294352 (E_RNA)
where:
Base-Base interactions energy: -1904.355
where: short stacking energy: -820.533
Base-Backbone interact. energy: -4.223
local terms energy: -937.715858
where:
bonds (distance) C4'-P energy: -173.470
bonds (distance) P-C4' energy: -183.146
flat angles C4'-P-C4' energy: -208.966
flat angles P-C4'-P energy: -135.767
tors. eta vs tors. theta energy: -236.367
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: 3
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -2747.307617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2747.307617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2747.307617 (E_RNA)
where:
Base-Base interactions energy: -1908.089
where: short stacking energy: -762.943
Base-Backbone interact. energy: -3.873
local terms energy: -835.344856
where:
bonds (distance) C4'-P energy: -164.687
bonds (distance) P-C4' energy: -172.742
flat angles C4'-P-C4' energy: -169.180
flat angles P-C4'-P energy: -123.755
tors. eta vs tors. theta energy: -204.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -2543.411584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2543.411584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2543.411584 (E_RNA)
where:
Base-Base interactions energy: -1698.876
where: short stacking energy: -738.752
Base-Backbone interact. energy: 0.666
local terms energy: -845.201429
where:
bonds (distance) C4'-P energy: -168.052
bonds (distance) P-C4' energy: -158.992
flat angles C4'-P-C4' energy: -174.392
flat angles P-C4'-P energy: -122.753
tors. eta vs tors. theta energy: -221.012
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: 6
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -2325.650327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2325.650327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.650327 (E_RNA)
where:
Base-Base interactions energy: -1518.677
where: short stacking energy: -657.768
Base-Backbone interact. energy: -0.537
local terms energy: -806.436847
where:
bonds (distance) C4'-P energy: -159.749
bonds (distance) P-C4' energy: -156.959
flat angles C4'-P-C4' energy: -185.541
flat angles P-C4'-P energy: -117.862
tors. eta vs tors. theta energy: -186.325
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: 1
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -2232.992548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2232.992548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2232.992548 (E_RNA)
where:
Base-Base interactions energy: -1493.955
where: short stacking energy: -633.395
Base-Backbone interact. energy: -0.965
local terms energy: -738.072086
where:
bonds (distance) C4'-P energy: -161.343
bonds (distance) P-C4' energy: -146.581
flat angles C4'-P-C4' energy: -165.433
flat angles P-C4'-P energy: -95.867
tors. eta vs tors. theta energy: -168.849
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: 7, replica: 9
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -1598.787725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.787725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.787725 (E_RNA)
where:
Base-Base interactions energy: -942.674
where: short stacking energy: -457.031
Base-Backbone interact. energy: -2.473
local terms energy: -653.641219
where:
bonds (distance) C4'-P energy: -124.817
bonds (distance) P-C4' energy: -154.120
flat angles C4'-P-C4' energy: -157.332
flat angles P-C4'-P energy: -125.354
tors. eta vs tors. theta energy: -92.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -1262.380770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.380770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.380770 (E_RNA)
where:
Base-Base interactions energy: -701.195
where: short stacking energy: -364.244
Base-Backbone interact. energy: -0.137
local terms energy: -561.048348
where:
bonds (distance) C4'-P energy: -127.751
bonds (distance) P-C4' energy: -153.653
flat angles C4'-P-C4' energy: -136.634
flat angles P-C4'-P energy: -95.480
tors. eta vs tors. theta energy: -47.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -1003.062366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.062366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.062366 (E_RNA)
where:
Base-Base interactions energy: -482.392
where: short stacking energy: -263.104
Base-Backbone interact. energy: -3.837
local terms energy: -516.832779
where:
bonds (distance) C4'-P energy: -155.093
bonds (distance) P-C4' energy: -138.963
flat angles C4'-P-C4' energy: -124.800
flat angles P-C4'-P energy: -88.512
tors. eta vs tors. theta energy: -9.465
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: 10, replica: 4
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -770.837296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.837296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.837296 (E_RNA)
where:
Base-Base interactions energy: -323.636
where: short stacking energy: -187.423
Base-Backbone interact. energy: -4.340
local terms energy: -442.861758
where:
bonds (distance) C4'-P energy: -146.247
bonds (distance) P-C4' energy: -142.145
flat angles C4'-P-C4' energy: -120.659
flat angles P-C4'-P energy: -82.012
tors. eta vs tors. theta energy: 48.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -3001.393716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3001.393716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3001.393716 (E_RNA)
where:
Base-Base interactions energy: -2077.014
where: short stacking energy: -864.012
Base-Backbone interact. energy: -2.027
local terms energy: -922.352205
where:
bonds (distance) C4'-P energy: -163.998
bonds (distance) P-C4' energy: -180.539
flat angles C4'-P-C4' energy: -206.508
flat angles P-C4'-P energy: -117.840
tors. eta vs tors. theta energy: -253.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -2818.863408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2818.863408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2818.863408 (E_RNA)
where:
Base-Base interactions energy: -1932.407
where: short stacking energy: -839.551
Base-Backbone interact. energy: -0.337
local terms energy: -886.119230
where:
bonds (distance) C4'-P energy: -167.556
bonds (distance) P-C4' energy: -163.706
flat angles C4'-P-C4' energy: -186.274
flat angles P-C4'-P energy: -123.607
tors. eta vs tors. theta energy: -244.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -2727.670746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2727.670746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2727.670746 (E_RNA)
where:
Base-Base interactions energy: -1866.557
where: short stacking energy: -782.386
Base-Backbone interact. energy: -5.985
local terms energy: -855.129289
where:
bonds (distance) C4'-P energy: -152.322
bonds (distance) P-C4' energy: -173.913
flat angles C4'-P-C4' energy: -193.199
flat angles P-C4'-P energy: -120.989
tors. eta vs tors. theta energy: -214.707
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: 5
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -2515.615729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2515.615729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2515.615729 (E_RNA)
where:
Base-Base interactions energy: -1679.890
where: short stacking energy: -732.375
Base-Backbone interact. energy: -3.921
local terms energy: -831.805119
where:
bonds (distance) C4'-P energy: -157.315
bonds (distance) P-C4' energy: -174.297
flat angles C4'-P-C4' energy: -182.807
flat angles P-C4'-P energy: -108.699
tors. eta vs tors. theta energy: -208.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -2344.747942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2344.747942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2344.747942 (E_RNA)
where:
Base-Base interactions energy: -1531.816
where: short stacking energy: -651.538
Base-Backbone interact. energy: -1.999
local terms energy: -810.932216
where:
bonds (distance) C4'-P energy: -160.172
bonds (distance) P-C4' energy: -165.643
flat angles C4'-P-C4' energy: -183.225
flat angles P-C4'-P energy: -118.124
tors. eta vs tors. theta energy: -183.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -2231.494847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2231.494847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2231.494847 (E_RNA)
where:
Base-Base interactions energy: -1461.058
where: short stacking energy: -601.818
Base-Backbone interact. energy: -0.130
local terms energy: -770.306544
where:
bonds (distance) C4'-P energy: -151.979
bonds (distance) P-C4' energy: -163.263
flat angles C4'-P-C4' energy: -170.480
flat angles P-C4'-P energy: -101.046
tors. eta vs tors. theta energy: -183.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -1542.252515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.252515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.252515 (E_RNA)
where:
Base-Base interactions energy: -907.803
where: short stacking energy: -439.643
Base-Backbone interact. energy: -1.686
local terms energy: -632.762976
where:
bonds (distance) C4'-P energy: -146.679
bonds (distance) P-C4' energy: -137.824
flat angles C4'-P-C4' energy: -151.399
flat angles P-C4'-P energy: -93.801
tors. eta vs tors. theta energy: -103.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -1348.165809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.165809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.165809 (E_RNA)
where:
Base-Base interactions energy: -744.430
where: short stacking energy: -411.568
Base-Backbone interact. energy: -3.219
local terms energy: -600.517401
where:
bonds (distance) C4'-P energy: -147.994
bonds (distance) P-C4' energy: -147.015
flat angles C4'-P-C4' energy: -140.661
flat angles P-C4'-P energy: -89.734
tors. eta vs tors. theta energy: -75.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -1060.526253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.526253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.526253 (E_RNA)
where:
Base-Base interactions energy: -517.197
where: short stacking energy: -267.149
Base-Backbone interact. energy: -0.559
local terms energy: -542.770295
where:
bonds (distance) C4'-P energy: -156.303
bonds (distance) P-C4' energy: -151.110
flat angles C4'-P-C4' energy: -134.745
flat angles P-C4'-P energy: -79.729
tors. eta vs tors. theta energy: -20.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -780.603989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.603989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.603989 (E_RNA)
where:
Base-Base interactions energy: -326.750
where: short stacking energy: -208.374
Base-Backbone interact. energy: 16.108
local terms energy: -469.961510
where:
bonds (distance) C4'-P energy: -133.935
bonds (distance) P-C4' energy: -169.947
flat angles C4'-P-C4' energy: -118.127
flat angles P-C4'-P energy: -79.866
tors. eta vs tors. theta energy: 31.914
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: 7
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -3056.296377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3056.296377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3056.296377 (E_RNA)
where:
Base-Base interactions energy: -2087.178
where: short stacking energy: -881.610
Base-Backbone interact. energy: -0.453
local terms energy: -968.665504
where:
bonds (distance) C4'-P energy: -186.209
bonds (distance) P-C4' energy: -185.506
flat angles C4'-P-C4' energy: -210.194
flat angles P-C4'-P energy: -124.056
tors. eta vs tors. theta energy: -262.702
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: 10
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -2868.910821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2868.910821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2868.910821 (E_RNA)
where:
Base-Base interactions energy: -1954.931
where: short stacking energy: -854.629
Base-Backbone interact. energy: 5.850
local terms energy: -919.830608
where:
bonds (distance) C4'-P energy: -164.032
bonds (distance) P-C4' energy: -171.722
flat angles C4'-P-C4' energy: -196.983
flat angles P-C4'-P energy: -134.266
tors. eta vs tors. theta energy: -252.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -2767.374888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2767.374888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2767.374888 (E_RNA)
where:
Base-Base interactions energy: -1937.762
where: short stacking energy: -745.626
Base-Backbone interact. energy: -3.876
local terms energy: -825.737283
where:
bonds (distance) C4'-P energy: -155.927
bonds (distance) P-C4' energy: -159.331
flat angles C4'-P-C4' energy: -179.259
flat angles P-C4'-P energy: -107.306
tors. eta vs tors. theta energy: -223.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -2523.429453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2523.429453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2523.429453 (E_RNA)
where:
Base-Base interactions energy: -1688.932
where: short stacking energy: -764.891
Base-Backbone interact. energy: -2.374
local terms energy: -832.123531
where:
bonds (distance) C4'-P energy: -163.175
bonds (distance) P-C4' energy: -154.956
flat angles C4'-P-C4' energy: -173.112
flat angles P-C4'-P energy: -109.396
tors. eta vs tors. theta energy: -231.485
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: 6
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -2358.344939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2358.344939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.344939 (E_RNA)
where:
Base-Base interactions energy: -1557.381
where: short stacking energy: -657.044
Base-Backbone interact. energy: 2.166
local terms energy: -803.129483
where:
bonds (distance) C4'-P energy: -149.430
bonds (distance) P-C4' energy: -169.945
flat angles C4'-P-C4' energy: -167.405
flat angles P-C4'-P energy: -119.579
tors. eta vs tors. theta energy: -196.771
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: 1
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -2227.708680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2227.708680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2227.708680 (E_RNA)
where:
Base-Base interactions energy: -1476.193
where: short stacking energy: -584.911
Base-Backbone interact. energy: -1.495
local terms energy: -750.020373
where:
bonds (distance) C4'-P energy: -137.457
bonds (distance) P-C4' energy: -159.106
flat angles C4'-P-C4' energy: -165.809
flat angles P-C4'-P energy: -116.413
tors. eta vs tors. theta energy: -171.236
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: 9
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -1660.978112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.978112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.978112 (E_RNA)
where:
Base-Base interactions energy: -1020.451
where: short stacking energy: -489.227
Base-Backbone interact. energy: -2.574
local terms energy: -637.952964
where:
bonds (distance) C4'-P energy: -158.248
bonds (distance) P-C4' energy: -149.156
flat angles C4'-P-C4' energy: -147.083
flat angles P-C4'-P energy: -89.699
tors. eta vs tors. theta energy: -93.766
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: 8
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -1257.267946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.267946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.267946 (E_RNA)
where:
Base-Base interactions energy: -691.932
where: short stacking energy: -353.636
Base-Backbone interact. energy: 0.274
local terms energy: -565.610261
where:
bonds (distance) C4'-P energy: -136.177
bonds (distance) P-C4' energy: -168.274
flat angles C4'-P-C4' energy: -141.021
flat angles P-C4'-P energy: -87.423
tors. eta vs tors. theta energy: -32.715
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: 2
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -1070.302953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.302953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.302953 (E_RNA)
where:
Base-Base interactions energy: -598.977
where: short stacking energy: -318.998
Base-Backbone interact. energy: 0.692
local terms energy: -472.017960
where:
bonds (distance) C4'-P energy: -142.146
bonds (distance) P-C4' energy: -149.983
flat angles C4'-P-C4' energy: -113.776
flat angles P-C4'-P energy: -62.845
tors. eta vs tors. theta energy: -3.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -818.346141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.346141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.346141 (E_RNA)
where:
Base-Base interactions energy: -346.149
where: short stacking energy: -212.308
Base-Backbone interact. energy: -1.448
local terms energy: -470.748906
where:
bonds (distance) C4'-P energy: -137.217
bonds (distance) P-C4' energy: -146.352
flat angles C4'-P-C4' energy: -127.959
flat angles P-C4'-P energy: -84.642
tors. eta vs tors. theta energy: 25.421
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: 7
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -3026.571116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3026.571116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3026.571116 (E_RNA)
where:
Base-Base interactions energy: -2075.996
where: short stacking energy: -878.664
Base-Backbone interact. energy: -0.273
local terms energy: -950.302828
where:
bonds (distance) C4'-P energy: -165.267
bonds (distance) P-C4' energy: -187.330
flat angles C4'-P-C4' energy: -202.230
flat angles P-C4'-P energy: -132.146
tors. eta vs tors. theta energy: -263.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -2843.806116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2843.806116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2843.806116 (E_RNA)
where:
Base-Base interactions energy: -1924.963
where: short stacking energy: -855.920
Base-Backbone interact. energy: 1.858
local terms energy: -920.700413
where:
bonds (distance) C4'-P energy: -174.678
bonds (distance) P-C4' energy: -177.556
flat angles C4'-P-C4' energy: -195.389
flat angles P-C4'-P energy: -125.994
tors. eta vs tors. theta energy: -247.083
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: 3
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -2761.479986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2761.479986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2761.479986 (E_RNA)
where:
Base-Base interactions energy: -1918.362
where: short stacking energy: -795.275
Base-Backbone interact. energy: 5.516
local terms energy: -848.633649
where:
bonds (distance) C4'-P energy: -163.640
bonds (distance) P-C4' energy: -167.503
flat angles C4'-P-C4' energy: -188.379
flat angles P-C4'-P energy: -103.223
tors. eta vs tors. theta energy: -225.889
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: 235
Temperature: 1.050000
Total energy: -2526.278111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2526.278111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2526.278111 (E_RNA)
where:
Base-Base interactions energy: -1713.035
where: short stacking energy: -746.415
Base-Backbone interact. energy: -6.389
local terms energy: -806.854906
where:
bonds (distance) C4'-P energy: -159.613
bonds (distance) P-C4' energy: -153.911
flat angles C4'-P-C4' energy: -165.893
flat angles P-C4'-P energy: -113.467
tors. eta vs tors. theta energy: -213.970
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: 6
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -2365.949295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2365.949295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2365.949295 (E_RNA)
where:
Base-Base interactions energy: -1583.645
where: short stacking energy: -646.155
Base-Backbone interact. energy: 1.931
local terms energy: -784.235296
where:
bonds (distance) C4'-P energy: -158.793
bonds (distance) P-C4' energy: -155.782
flat angles C4'-P-C4' energy: -182.292
flat angles P-C4'-P energy: -97.892
tors. eta vs tors. theta energy: -189.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -2251.026701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2251.026701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.026701 (E_RNA)
where:
Base-Base interactions energy: -1499.233
where: short stacking energy: -611.196
Base-Backbone interact. energy: 0.380
local terms energy: -752.173879
where:
bonds (distance) C4'-P energy: -138.138
bonds (distance) P-C4' energy: -138.601
flat angles C4'-P-C4' energy: -178.738
flat angles P-C4'-P energy: -115.009
tors. eta vs tors. theta energy: -181.687
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: 9
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -1610.267278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.267278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.267278 (E_RNA)
where:
Base-Base interactions energy: -962.722
where: short stacking energy: -439.311
Base-Backbone interact. energy: -3.263
local terms energy: -644.282731
where:
bonds (distance) C4'-P energy: -142.229
bonds (distance) P-C4' energy: -160.225
flat angles C4'-P-C4' energy: -153.155
flat angles P-C4'-P energy: -92.136
tors. eta vs tors. theta energy: -96.538
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: 8
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -1239.511424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.511424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.511424 (E_RNA)
where:
Base-Base interactions energy: -718.251
where: short stacking energy: -357.927
Base-Backbone interact. energy: 4.155
local terms energy: -525.415306
where:
bonds (distance) C4'-P energy: -126.802
bonds (distance) P-C4' energy: -148.316
flat angles C4'-P-C4' energy: -135.785
flat angles P-C4'-P energy: -73.841
tors. eta vs tors. theta energy: -40.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -1078.949381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.949381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.949381 (E_RNA)
where:
Base-Base interactions energy: -543.991
where: short stacking energy: -284.425
Base-Backbone interact. energy: 1.513
local terms energy: -536.471635
where:
bonds (distance) C4'-P energy: -131.129
bonds (distance) P-C4' energy: -166.191
flat angles C4'-P-C4' energy: -120.296
flat angles P-C4'-P energy: -101.895
tors. eta vs tors. theta energy: -16.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -767.038740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.038740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.038740 (E_RNA)
where:
Base-Base interactions energy: -337.382
where: short stacking energy: -181.880
Base-Backbone interact. energy: -3.271
local terms energy: -426.385820
where:
bonds (distance) C4'-P energy: -143.784
bonds (distance) P-C4' energy: -142.258
flat angles C4'-P-C4' energy: -114.681
flat angles P-C4'-P energy: -71.046
tors. eta vs tors. theta energy: 45.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -3055.257966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3055.257966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3055.257966 (E_RNA)
where:
Base-Base interactions energy: -2070.579
where: short stacking energy: -882.202
Base-Backbone interact. energy: -0.528
local terms energy: -984.150537
where:
bonds (distance) C4'-P energy: -187.956
bonds (distance) P-C4' energy: -194.866
flat angles C4'-P-C4' energy: -197.093
flat angles P-C4'-P energy: -138.962
tors. eta vs tors. theta energy: -265.275
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: 2, replica: 10
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -2856.042259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2856.042259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2856.042259 (E_RNA)
where:
Base-Base interactions energy: -1932.291
where: short stacking energy: -833.682
Base-Backbone interact. energy: -4.769
local terms energy: -918.981987
where:
bonds (distance) C4'-P energy: -162.262
bonds (distance) P-C4' energy: -175.341
flat angles C4'-P-C4' energy: -194.494
flat angles P-C4'-P energy: -147.609
tors. eta vs tors. theta energy: -239.276
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: 3
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -2690.698594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2690.698594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2690.698594 (E_RNA)
where:
Base-Base interactions energy: -1858.832
where: short stacking energy: -751.703
Base-Backbone interact. energy: 0.755
local terms energy: -832.622118
where:
bonds (distance) C4'-P energy: -160.467
bonds (distance) P-C4' energy: -164.913
flat angles C4'-P-C4' energy: -183.975
flat angles P-C4'-P energy: -100.226
tors. eta vs tors. theta energy: -223.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -2590.220093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2590.220093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2590.220093 (E_RNA)
where:
Base-Base interactions energy: -1724.965
where: short stacking energy: -752.441
Base-Backbone interact. energy: -0.028
local terms energy: -865.226482
where:
bonds (distance) C4'-P energy: -158.042
bonds (distance) P-C4' energy: -146.216
flat angles C4'-P-C4' energy: -200.677
flat angles P-C4'-P energy: -127.905
tors. eta vs tors. theta energy: -232.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -2332.999712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2332.999712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2332.999712 (E_RNA)
where:
Base-Base interactions energy: -1551.300
where: short stacking energy: -661.414
Base-Backbone interact. energy: -2.662
local terms energy: -779.038150
where:
bonds (distance) C4'-P energy: -165.136
bonds (distance) P-C4' energy: -137.860
flat angles C4'-P-C4' energy: -178.673
flat angles P-C4'-P energy: -108.870
tors. eta vs tors. theta energy: -188.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -2255.077062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.077062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2255.077062 (E_RNA)
where:
Base-Base interactions energy: -1545.227
where: short stacking energy: -637.776
Base-Backbone interact. energy: -2.886
local terms energy: -706.964948
where:
bonds (distance) C4'-P energy: -141.735
bonds (distance) P-C4' energy: -148.182
flat angles C4'-P-C4' energy: -168.598
flat angles P-C4'-P energy: -76.700
tors. eta vs tors. theta energy: -171.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -1654.932125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.932125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.932125 (E_RNA)
where:
Base-Base interactions energy: -1013.956
where: short stacking energy: -488.082
Base-Backbone interact. energy: 0.647
local terms energy: -641.622211
where:
bonds (distance) C4'-P energy: -150.729
bonds (distance) P-C4' energy: -157.986
flat angles C4'-P-C4' energy: -156.960
flat angles P-C4'-P energy: -77.055
tors. eta vs tors. theta energy: -98.892
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: 8
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -1223.067595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.067595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.067595 (E_RNA)
where:
Base-Base interactions energy: -628.248
where: short stacking energy: -336.690
Base-Backbone interact. energy: 1.500
local terms energy: -596.319776
where:
bonds (distance) C4'-P energy: -151.368
bonds (distance) P-C4' energy: -170.824
flat angles C4'-P-C4' energy: -134.705
flat angles P-C4'-P energy: -87.907
tors. eta vs tors. theta energy: -51.515
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: 2
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -1016.639687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.639687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.639687 (E_RNA)
where:
Base-Base interactions energy: -521.168
where: short stacking energy: -300.034
Base-Backbone interact. energy: 2.789
local terms energy: -498.260447
where:
bonds (distance) C4'-P energy: -150.165
bonds (distance) P-C4' energy: -148.584
flat angles C4'-P-C4' energy: -117.239
flat angles P-C4'-P energy: -86.036
tors. eta vs tors. theta energy: 3.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -775.023417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.023417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.023417 (E_RNA)
where:
Base-Base interactions energy: -344.232
where: short stacking energy: -200.105
Base-Backbone interact. energy: 2.205
local terms energy: -432.996082
where:
bonds (distance) C4'-P energy: -125.274
bonds (distance) P-C4' energy: -146.085
flat angles C4'-P-C4' energy: -99.193
flat angles P-C4'-P energy: -78.842
tors. eta vs tors. theta energy: 16.398
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: 1, replica: 7
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -3041.883835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3041.883835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3041.883835 (E_RNA)
where:
Base-Base interactions energy: -2103.014
where: short stacking energy: -850.936
Base-Backbone interact. energy: 1.061
local terms energy: -939.930813
where:
bonds (distance) C4'-P energy: -159.291
bonds (distance) P-C4' energy: -190.525
flat angles C4'-P-C4' energy: -195.940
flat angles P-C4'-P energy: -132.392
tors. eta vs tors. theta energy: -261.783
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: 10
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -2845.486575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2845.486575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2845.486575 (E_RNA)
where:
Base-Base interactions energy: -1929.180
where: short stacking energy: -826.376
Base-Backbone interact. energy: -1.656
local terms energy: -914.650715
where:
bonds (distance) C4'-P energy: -174.522
bonds (distance) P-C4' energy: -170.851
flat angles C4'-P-C4' energy: -201.454
flat angles P-C4'-P energy: -118.796
tors. eta vs tors. theta energy: -249.028
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: 3
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -2704.598823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2704.598823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2704.598823 (E_RNA)
where:
Base-Base interactions energy: -1894.116
where: short stacking energy: -787.827
Base-Backbone interact. energy: -4.218
local terms energy: -806.264241
where:
bonds (distance) C4'-P energy: -130.664
bonds (distance) P-C4' energy: -175.505
flat angles C4'-P-C4' energy: -183.799
flat angles P-C4'-P energy: -96.471
tors. eta vs tors. theta energy: -219.824
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: 5
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -2616.800021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2616.800021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2616.800021 (E_RNA)
where:
Base-Base interactions energy: -1744.486
where: short stacking energy: -757.720
Base-Backbone interact. energy: -0.915
local terms energy: -871.399164
where:
bonds (distance) C4'-P energy: -147.744
bonds (distance) P-C4' energy: -166.808
flat angles C4'-P-C4' energy: -193.180
flat angles P-C4'-P energy: -124.990
tors. eta vs tors. theta energy: -238.676
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: 5, replica: 6
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -2363.785781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2363.785781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2363.785781 (E_RNA)
where:
Base-Base interactions energy: -1597.394
where: short stacking energy: -691.924
Base-Backbone interact. energy: -1.016
local terms energy: -765.375941
where:
bonds (distance) C4'-P energy: -153.787
bonds (distance) P-C4' energy: -139.972
flat angles C4'-P-C4' energy: -175.679
flat angles P-C4'-P energy: -101.199
tors. eta vs tors. theta energy: -194.738
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: 1
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -2286.517003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.517003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2286.517003 (E_RNA)
where:
Base-Base interactions energy: -1519.768
where: short stacking energy: -608.864
Base-Backbone interact. energy: 0.080
local terms energy: -766.829126
where:
bonds (distance) C4'-P energy: -158.944
bonds (distance) P-C4' energy: -169.546
flat angles C4'-P-C4' energy: -161.728
flat angles P-C4'-P energy: -101.892
tors. eta vs tors. theta energy: -174.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -1646.772486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.772486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.772486 (E_RNA)
where:
Base-Base interactions energy: -1014.447
where: short stacking energy: -492.929
Base-Backbone interact. energy: -1.825
local terms energy: -630.500672
where:
bonds (distance) C4'-P energy: -124.340
bonds (distance) P-C4' energy: -150.066
flat angles C4'-P-C4' energy: -159.011
flat angles P-C4'-P energy: -94.079
tors. eta vs tors. theta energy: -103.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -1265.837003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.837003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.837003 (E_RNA)
where:
Base-Base interactions energy: -715.513
where: short stacking energy: -360.012
Base-Backbone interact. energy: -1.135
local terms energy: -549.189121
where:
bonds (distance) C4'-P energy: -140.873
bonds (distance) P-C4' energy: -164.518
flat angles C4'-P-C4' energy: -127.643
flat angles P-C4'-P energy: -68.256
tors. eta vs tors. theta energy: -47.899
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: 237
Temperature: 1.300000
Total energy: -942.949153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.949153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.949153 (E_RNA)
where:
Base-Base interactions energy: -421.651
where: short stacking energy: -225.416
Base-Backbone interact. energy: -1.060
local terms energy: -520.303560
where:
bonds (distance) C4'-P energy: -151.717
bonds (distance) P-C4' energy: -151.914
flat angles C4'-P-C4' energy: -145.990
flat angles P-C4'-P energy: -84.521
tors. eta vs tors. theta energy: 13.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.066 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -789.191099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.191099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.191099 (E_RNA)
where:
Base-Base interactions energy: -365.026
where: short stacking energy: -226.079
Base-Backbone interact. energy: 4.588
local terms energy: -428.753775
where:
bonds (distance) C4'-P energy: -129.206
bonds (distance) P-C4' energy: -120.187
flat angles C4'-P-C4' energy: -112.682
flat angles P-C4'-P energy: -91.310
tors. eta vs tors. theta energy: 24.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -3050.966295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3050.966295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3050.966295 (E_RNA)
where:
Base-Base interactions energy: -2094.184
where: short stacking energy: -872.318
Base-Backbone interact. energy: -1.339
local terms energy: -955.442536
where:
bonds (distance) C4'-P energy: -165.130
bonds (distance) P-C4' energy: -191.163
flat angles C4'-P-C4' energy: -200.992
flat angles P-C4'-P energy: -138.603
tors. eta vs tors. theta energy: -259.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -2837.806562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2837.806562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2837.806562 (E_RNA)
where:
Base-Base interactions energy: -1918.946
where: short stacking energy: -807.813
Base-Backbone interact. energy: -5.748
local terms energy: -913.112211
where:
bonds (distance) C4'-P energy: -168.595
bonds (distance) P-C4' energy: -176.527
flat angles C4'-P-C4' energy: -194.369
flat angles P-C4'-P energy: -126.741
tors. eta vs tors. theta energy: -246.880
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: 3
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -2713.886707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2713.886707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2713.886707 (E_RNA)
where:
Base-Base interactions energy: -1874.528
where: short stacking energy: -749.667
Base-Backbone interact. energy: 1.692
local terms energy: -841.050552
where:
bonds (distance) C4'-P energy: -163.212
bonds (distance) P-C4' energy: -163.186
flat angles C4'-P-C4' energy: -183.619
flat angles P-C4'-P energy: -112.921
tors. eta vs tors. theta energy: -218.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -2578.022147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2578.022147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2578.022147 (E_RNA)
where:
Base-Base interactions energy: -1762.709
where: short stacking energy: -785.144
Base-Backbone interact. energy: -7.339
local terms energy: -807.973771
where:
bonds (distance) C4'-P energy: -137.255
bonds (distance) P-C4' energy: -144.718
flat angles C4'-P-C4' energy: -188.087
flat angles P-C4'-P energy: -114.270
tors. eta vs tors. theta energy: -223.643
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: 6
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -2362.080715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2362.080715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.080715 (E_RNA)
where:
Base-Base interactions energy: -1579.836
where: short stacking energy: -670.885
Base-Backbone interact. energy: -3.307
local terms energy: -778.937979
where:
bonds (distance) C4'-P energy: -168.454
bonds (distance) P-C4' energy: -156.519
flat angles C4'-P-C4' energy: -165.324
flat angles P-C4'-P energy: -106.101
tors. eta vs tors. theta energy: -182.539
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: 1
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -2221.323406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2221.323406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2221.323406 (E_RNA)
where:
Base-Base interactions energy: -1495.332
where: short stacking energy: -623.473
Base-Backbone interact. energy: -0.770
local terms energy: -725.221250
where:
bonds (distance) C4'-P energy: -139.057
bonds (distance) P-C4' energy: -146.892
flat angles C4'-P-C4' energy: -176.175
flat angles P-C4'-P energy: -99.324
tors. eta vs tors. theta energy: -163.774
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: 9
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -1590.871149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.871149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.871149 (E_RNA)
where:
Base-Base interactions energy: -971.179
where: short stacking energy: -458.472
Base-Backbone interact. energy: 9.600
local terms energy: -629.292224
where:
bonds (distance) C4'-P energy: -141.302
bonds (distance) P-C4' energy: -148.783
flat angles C4'-P-C4' energy: -147.925
flat angles P-C4'-P energy: -100.301
tors. eta vs tors. theta energy: -90.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -1245.918724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.918724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.918724 (E_RNA)
where:
Base-Base interactions energy: -714.516
where: short stacking energy: -368.561
Base-Backbone interact. energy: 5.708
local terms energy: -537.111106
where:
bonds (distance) C4'-P energy: -143.886
bonds (distance) P-C4' energy: -154.749
flat angles C4'-P-C4' energy: -137.585
flat angles P-C4'-P energy: -63.062
tors. eta vs tors. theta energy: -37.830
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: 9, replica: 4
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -855.883057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.883057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.883057 (E_RNA)
where:
Base-Base interactions energy: -353.901
where: short stacking energy: -217.775
Base-Backbone interact. energy: 0.834
local terms energy: -502.815843
where:
bonds (distance) C4'-P energy: -140.851
bonds (distance) P-C4' energy: -155.404
flat angles C4'-P-C4' energy: -132.344
flat angles P-C4'-P energy: -86.344
tors. eta vs tors. theta energy: 12.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -894.827955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.827955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.827955 (E_RNA)
where:
Base-Base interactions energy: -420.939
where: short stacking energy: -234.430
Base-Backbone interact. energy: -1.590
local terms energy: -473.765207
where:
bonds (distance) C4'-P energy: -122.210
bonds (distance) P-C4' energy: -150.115
flat angles C4'-P-C4' energy: -134.902
flat angles P-C4'-P energy: -84.145
tors. eta vs tors. theta energy: 17.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.466 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -3037.258286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3037.258286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3037.258286 (E_RNA)
where:
Base-Base interactions energy: -2074.788
where: short stacking energy: -870.956
Base-Backbone interact. energy: -0.118
local terms energy: -962.352633
where:
bonds (distance) C4'-P energy: -174.213
bonds (distance) P-C4' energy: -184.149
flat angles C4'-P-C4' energy: -194.363
flat angles P-C4'-P energy: -142.220
tors. eta vs tors. theta energy: -267.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -2769.520702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2769.520702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2769.520702 (E_RNA)
where:
Base-Base interactions energy: -1906.952
where: short stacking energy: -778.066
Base-Backbone interact. energy: -2.543
local terms energy: -860.025388
where:
bonds (distance) C4'-P energy: -161.666
bonds (distance) P-C4' energy: -167.822
flat angles C4'-P-C4' energy: -198.299
flat angles P-C4'-P energy: -115.572
tors. eta vs tors. theta energy: -216.667
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: 10
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -2755.539700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2755.539700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2755.539700 (E_RNA)
where:
Base-Base interactions energy: -1855.239
where: short stacking energy: -791.733
Base-Backbone interact. energy: -3.618
local terms energy: -896.683047
where:
bonds (distance) C4'-P energy: -157.358
bonds (distance) P-C4' energy: -166.600
flat angles C4'-P-C4' energy: -208.334
flat angles P-C4'-P energy: -117.960
tors. eta vs tors. theta energy: -246.431
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: 5
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -2571.313968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2571.313968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2571.313968 (E_RNA)
where:
Base-Base interactions energy: -1736.956
where: short stacking energy: -747.171
Base-Backbone interact. energy: -1.308
local terms energy: -833.442561
where:
bonds (distance) C4'-P energy: -168.494
bonds (distance) P-C4' energy: -132.046
flat angles C4'-P-C4' energy: -179.294
flat angles P-C4'-P energy: -120.525
tors. eta vs tors. theta energy: -233.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.393 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -2335.178042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2335.178042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2335.178042 (E_RNA)
where:
Base-Base interactions energy: -1555.084
where: short stacking energy: -672.676
Base-Backbone interact. energy: 0.436
local terms energy: -780.530030
where:
bonds (distance) C4'-P energy: -152.685
bonds (distance) P-C4' energy: -159.435
flat angles C4'-P-C4' energy: -180.758
flat angles P-C4'-P energy: -109.757
tors. eta vs tors. theta energy: -177.895
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: 1
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -2275.586292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2275.586292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2275.586292 (E_RNA)
where:
Base-Base interactions energy: -1502.054
where: short stacking energy: -634.496
Base-Backbone interact. energy: 0.715
local terms energy: -774.247694
where:
bonds (distance) C4'-P energy: -158.721
bonds (distance) P-C4' energy: -159.917
flat angles C4'-P-C4' energy: -190.830
flat angles P-C4'-P energy: -107.045
tors. eta vs tors. theta energy: -157.734
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: 9
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -1629.979562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.979562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.979562 (E_RNA)
where:
Base-Base interactions energy: -1006.254
where: short stacking energy: -469.328
Base-Backbone interact. energy: -0.608
local terms energy: -623.549134
where:
bonds (distance) C4'-P energy: -126.713
bonds (distance) P-C4' energy: -152.149
flat angles C4'-P-C4' energy: -149.531
flat angles P-C4'-P energy: -92.641
tors. eta vs tors. theta energy: -102.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.432 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -1283.132112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.132112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.132112 (E_RNA)
where:
Base-Base interactions energy: -679.805
where: short stacking energy: -376.165
Base-Backbone interact. energy: 1.221
local terms energy: -604.547885
where:
bonds (distance) C4'-P energy: -146.755
bonds (distance) P-C4' energy: -162.361
flat angles C4'-P-C4' energy: -148.758
flat angles P-C4'-P energy: -88.869
tors. eta vs tors. theta energy: -57.805
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: 4
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -889.616323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.616323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.616323 (E_RNA)
where:
Base-Base interactions energy: -397.133
where: short stacking energy: -259.812
Base-Backbone interact. energy: 1.117
local terms energy: -493.599835
where:
bonds (distance) C4'-P energy: -131.541
bonds (distance) P-C4' energy: -145.711
flat angles C4'-P-C4' energy: -122.579
flat angles P-C4'-P energy: -102.068
tors. eta vs tors. theta energy: 8.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -857.717595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.717595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.717595 (E_RNA)
where:
Base-Base interactions energy: -405.742
where: short stacking energy: -248.149
Base-Backbone interact. energy: 0.825
local terms energy: -454.707174
where:
bonds (distance) C4'-P energy: -109.725
bonds (distance) P-C4' energy: -152.508
flat angles C4'-P-C4' energy: -127.397
flat angles P-C4'-P energy: -87.571
tors. eta vs tors. theta energy: 22.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.907 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -3023.897389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3023.897389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3023.897389 (E_RNA)
where:
Base-Base interactions energy: -2054.660
where: short stacking energy: -858.892
Base-Backbone interact. energy: 0.515
local terms energy: -969.753148
where:
bonds (distance) C4'-P energy: -186.375
bonds (distance) P-C4' energy: -178.958
flat angles C4'-P-C4' energy: -206.863
flat angles P-C4'-P energy: -125.936
tors. eta vs tors. theta energy: -271.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -2768.726826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2768.726826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2768.726826 (E_RNA)
where:
Base-Base interactions energy: -1889.173
where: short stacking energy: -780.155
Base-Backbone interact. energy: -3.119
local terms energy: -876.434597
where:
bonds (distance) C4'-P energy: -156.032
bonds (distance) P-C4' energy: -178.056
flat angles C4'-P-C4' energy: -182.099
flat angles P-C4'-P energy: -127.457
tors. eta vs tors. theta energy: -232.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -2756.963394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2756.963394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2756.963394 (E_RNA)
where:
Base-Base interactions energy: -1862.840
where: short stacking energy: -793.260
Base-Backbone interact. energy: -4.642
local terms energy: -889.481124
where:
bonds (distance) C4'-P energy: -174.643
bonds (distance) P-C4' energy: -177.614
flat angles C4'-P-C4' energy: -189.560
flat angles P-C4'-P energy: -114.865
tors. eta vs tors. theta energy: -232.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -2589.938933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2589.938933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2589.938933 (E_RNA)
where:
Base-Base interactions energy: -1743.924
where: short stacking energy: -741.060
Base-Backbone interact. energy: 0.629
local terms energy: -846.643853
where:
bonds (distance) C4'-P energy: -173.768
bonds (distance) P-C4' energy: -159.747
flat angles C4'-P-C4' energy: -169.241
flat angles P-C4'-P energy: -125.484
tors. eta vs tors. theta energy: -218.404
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: 6
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -2369.395513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2369.395513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2369.395513 (E_RNA)
where:
Base-Base interactions energy: -1606.983
where: short stacking energy: -671.873
Base-Backbone interact. energy: -2.811
local terms energy: -759.601515
where:
bonds (distance) C4'-P energy: -163.319
bonds (distance) P-C4' energy: -150.973
flat angles C4'-P-C4' energy: -187.942
flat angles P-C4'-P energy: -88.479
tors. eta vs tors. theta energy: -168.888
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: 1
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -2305.326875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2305.326875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2305.326875 (E_RNA)
where:
Base-Base interactions energy: -1543.935
where: short stacking energy: -699.278
Base-Backbone interact. energy: 1.224
local terms energy: -762.616006
where:
bonds (distance) C4'-P energy: -143.704
bonds (distance) P-C4' energy: -149.782
flat angles C4'-P-C4' energy: -176.137
flat angles P-C4'-P energy: -107.377
tors. eta vs tors. theta energy: -185.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -1580.609010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.609010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.609010 (E_RNA)
where:
Base-Base interactions energy: -922.298
where: short stacking energy: -425.918
Base-Backbone interact. energy: 1.767
local terms energy: -660.078009
where:
bonds (distance) C4'-P energy: -165.460
bonds (distance) P-C4' energy: -165.361
flat angles C4'-P-C4' energy: -151.725
flat angles P-C4'-P energy: -98.311
tors. eta vs tors. theta energy: -79.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -1311.294648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.294648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.294648 (E_RNA)
where:
Base-Base interactions energy: -734.968
where: short stacking energy: -359.838
Base-Backbone interact. energy: -1.359
local terms energy: -574.967333
where:
bonds (distance) C4'-P energy: -131.602
bonds (distance) P-C4' energy: -177.113
flat angles C4'-P-C4' energy: -138.734
flat angles P-C4'-P energy: -85.875
tors. eta vs tors. theta energy: -41.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -925.257968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.257968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.257968 (E_RNA)
where:
Base-Base interactions energy: -399.163
where: short stacking energy: -205.519
Base-Backbone interact. energy: -2.112
local terms energy: -523.983189
where:
bonds (distance) C4'-P energy: -168.211
bonds (distance) P-C4' energy: -164.131
flat angles C4'-P-C4' energy: -116.885
flat angles P-C4'-P energy: -76.815
tors. eta vs tors. theta energy: 2.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -880.617211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.617211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.617211 (E_RNA)
where:
Base-Base interactions energy: -423.135
where: short stacking energy: -251.937
Base-Backbone interact. energy: 1.847
local terms energy: -459.329636
where:
bonds (distance) C4'-P energy: -148.807
bonds (distance) P-C4' energy: -136.297
flat angles C4'-P-C4' energy: -118.168
flat angles P-C4'-P energy: -70.414
tors. eta vs tors. theta energy: 14.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -3010.010971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3010.010971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3010.010971 (E_RNA)
where:
Base-Base interactions energy: -2054.449
where: short stacking energy: -857.711
Base-Backbone interact. energy: 0.630
local terms energy: -956.191806
where:
bonds (distance) C4'-P energy: -169.191
bonds (distance) P-C4' energy: -186.505
flat angles C4'-P-C4' energy: -195.253
flat angles P-C4'-P energy: -139.137
tors. eta vs tors. theta energy: -266.106
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: 2, replica: 10
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -2869.722683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2869.722683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2869.722683 (E_RNA)
where:
Base-Base interactions energy: -1964.905
where: short stacking energy: -828.703
Base-Backbone interact. energy: -1.311
local terms energy: -903.506767
where:
bonds (distance) C4'-P energy: -160.866
bonds (distance) P-C4' energy: -173.101
flat angles C4'-P-C4' energy: -201.369
flat angles P-C4'-P energy: -119.211
tors. eta vs tors. theta energy: -248.961
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: 3
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -2700.913629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2700.913629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2700.913629 (E_RNA)
where:
Base-Base interactions energy: -1818.225
where: short stacking energy: -771.301
Base-Backbone interact. energy: 0.108
local terms energy: -882.796139
where:
bonds (distance) C4'-P energy: -166.953
bonds (distance) P-C4' energy: -178.807
flat angles C4'-P-C4' energy: -186.508
flat angles P-C4'-P energy: -124.977
tors. eta vs tors. theta energy: -225.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -2602.927860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2602.927860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2602.927860 (E_RNA)
where:
Base-Base interactions energy: -1765.452
where: short stacking energy: -783.248
Base-Backbone interact. energy: -0.840
local terms energy: -836.636691
where:
bonds (distance) C4'-P energy: -147.047
bonds (distance) P-C4' energy: -161.191
flat angles C4'-P-C4' energy: -181.285
flat angles P-C4'-P energy: -116.234
tors. eta vs tors. theta energy: -230.879
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: 6
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -2435.391139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.391139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2435.391139 (E_RNA)
where:
Base-Base interactions energy: -1635.410
where: short stacking energy: -677.423
Base-Backbone interact. energy: 0.071
local terms energy: -800.052550
where:
bonds (distance) C4'-P energy: -153.184
bonds (distance) P-C4' energy: -155.050
flat angles C4'-P-C4' energy: -193.359
flat angles P-C4'-P energy: -106.418
tors. eta vs tors. theta energy: -192.042
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: 6, replica: 1
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -2267.174737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2267.174737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2267.174737 (E_RNA)
where:
Base-Base interactions energy: -1517.691
where: short stacking energy: -669.999
Base-Backbone interact. energy: -2.359
local terms energy: -747.124455
where:
bonds (distance) C4'-P energy: -149.029
bonds (distance) P-C4' energy: -158.414
flat angles C4'-P-C4' energy: -155.038
flat angles P-C4'-P energy: -89.657
tors. eta vs tors. theta energy: -194.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -1560.142656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.142656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.142656 (E_RNA)
where:
Base-Base interactions energy: -960.716
where: short stacking energy: -486.635
Base-Backbone interact. energy: -4.859
local terms energy: -594.567277
where:
bonds (distance) C4'-P energy: -122.349
bonds (distance) P-C4' energy: -150.012
flat angles C4'-P-C4' energy: -150.116
flat angles P-C4'-P energy: -65.495
tors. eta vs tors. theta energy: -106.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -1326.450003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.450003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.450003 (E_RNA)
where:
Base-Base interactions energy: -760.122
where: short stacking energy: -376.470
Base-Backbone interact. energy: 2.797
local terms energy: -569.125576
where:
bonds (distance) C4'-P energy: -158.536
bonds (distance) P-C4' energy: -152.020
flat angles C4'-P-C4' energy: -144.039
flat angles P-C4'-P energy: -83.219
tors. eta vs tors. theta energy: -31.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -945.685803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.685803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.685803 (E_RNA)
where:
Base-Base interactions energy: -428.883
where: short stacking energy: -260.103
Base-Backbone interact. energy: -4.070
local terms energy: -512.732858
where:
bonds (distance) C4'-P energy: -129.462
bonds (distance) P-C4' energy: -162.581
flat angles C4'-P-C4' energy: -137.597
flat angles P-C4'-P energy: -81.785
tors. eta vs tors. theta energy: -1.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -898.701230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.701230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.701230 (E_RNA)
where:
Base-Base interactions energy: -457.348
where: short stacking energy: -258.346
Base-Backbone interact. energy: 4.248
local terms energy: -445.601535
where:
bonds (distance) C4'-P energy: -133.061
bonds (distance) P-C4' energy: -152.005
flat angles C4'-P-C4' energy: -110.331
flat angles P-C4'-P energy: -65.319
tors. eta vs tors. theta energy: 15.114
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: 1, replica: 7
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -2981.098595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2981.098595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2981.098595 (E_RNA)
where:
Base-Base interactions energy: -2042.140
where: short stacking energy: -845.668
Base-Backbone interact. energy: 1.348
local terms energy: -940.305616
where:
bonds (distance) C4'-P energy: -174.092
bonds (distance) P-C4' energy: -177.928
flat angles C4'-P-C4' energy: -202.922
flat angles P-C4'-P energy: -125.707
tors. eta vs tors. theta energy: -259.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -2825.613902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2825.613902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2825.613902 (E_RNA)
where:
Base-Base interactions energy: -1943.200
where: short stacking energy: -823.102
Base-Backbone interact. energy: -3.402
local terms energy: -879.011565
where:
bonds (distance) C4'-P energy: -159.470
bonds (distance) P-C4' energy: -171.013
flat angles C4'-P-C4' energy: -190.435
flat angles P-C4'-P energy: -123.682
tors. eta vs tors. theta energy: -234.412
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: 3
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -2747.008984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2747.008984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2747.008984 (E_RNA)
where:
Base-Base interactions energy: -1916.816
where: short stacking energy: -779.694
Base-Backbone interact. energy: 3.578
local terms energy: -833.771646
where:
bonds (distance) C4'-P energy: -160.008
bonds (distance) P-C4' energy: -148.055
flat angles C4'-P-C4' energy: -192.976
flat angles P-C4'-P energy: -113.589
tors. eta vs tors. theta energy: -219.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -2556.410318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2556.410318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2556.410318 (E_RNA)
where:
Base-Base interactions energy: -1728.485
where: short stacking energy: -757.244
Base-Backbone interact. energy: 6.209
local terms energy: -834.501052
where:
bonds (distance) C4'-P energy: -154.263
bonds (distance) P-C4' energy: -159.982
flat angles C4'-P-C4' energy: -166.795
flat angles P-C4'-P energy: -121.852
tors. eta vs tors. theta energy: -231.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.367 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -2413.950510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2413.950510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2413.950510 (E_RNA)
where:
Base-Base interactions energy: -1622.789
where: short stacking energy: -666.871
Base-Backbone interact. energy: 2.726
local terms energy: -793.887766
where:
bonds (distance) C4'-P energy: -158.830
bonds (distance) P-C4' energy: -152.481
flat angles C4'-P-C4' energy: -189.476
flat angles P-C4'-P energy: -122.819
tors. eta vs tors. theta energy: -170.282
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: 1
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -2231.489350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2231.489350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2231.489350 (E_RNA)
where:
Base-Base interactions energy: -1527.720
where: short stacking energy: -625.032
Base-Backbone interact. energy: -0.240
local terms energy: -703.529130
where:
bonds (distance) C4'-P energy: -131.377
bonds (distance) P-C4' energy: -172.256
flat angles C4'-P-C4' energy: -155.736
flat angles P-C4'-P energy: -90.619
tors. eta vs tors. theta energy: -153.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -1618.009181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.009181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.009181 (E_RNA)
where:
Base-Base interactions energy: -980.037
where: short stacking energy: -457.559
Base-Backbone interact. energy: 3.699
local terms energy: -641.671397
where:
bonds (distance) C4'-P energy: -169.933
bonds (distance) P-C4' energy: -146.943
flat angles C4'-P-C4' energy: -147.010
flat angles P-C4'-P energy: -82.866
tors. eta vs tors. theta energy: -94.920
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: 8
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -1372.106728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.106728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.106728 (E_RNA)
where:
Base-Base interactions energy: -787.286
where: short stacking energy: -384.139
Base-Backbone interact. energy: 0.039
local terms energy: -584.859822
where:
bonds (distance) C4'-P energy: -144.421
bonds (distance) P-C4' energy: -162.494
flat angles C4'-P-C4' energy: -147.583
flat angles P-C4'-P energy: -77.632
tors. eta vs tors. theta energy: -52.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -987.012829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.012829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.012829 (E_RNA)
where:
Base-Base interactions energy: -487.075
where: short stacking energy: -270.109
Base-Backbone interact. energy: 7.431
local terms energy: -507.368347
where:
bonds (distance) C4'-P energy: -120.171
bonds (distance) P-C4' energy: -153.068
flat angles C4'-P-C4' energy: -136.078
flat angles P-C4'-P energy: -85.168
tors. eta vs tors. theta energy: -12.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -842.127615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.127615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.127615 (E_RNA)
where:
Base-Base interactions energy: -377.775
where: short stacking energy: -216.968
Base-Backbone interact. energy: 0.619
local terms energy: -464.971466
where:
bonds (distance) C4'-P energy: -133.417
bonds (distance) P-C4' energy: -149.632
flat angles C4'-P-C4' energy: -121.068
flat angles P-C4'-P energy: -58.895
tors. eta vs tors. theta energy: -1.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -2996.721982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2996.721982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2996.721982 (E_RNA)
where:
Base-Base interactions energy: -2058.674
where: short stacking energy: -857.317
Base-Backbone interact. energy: -1.662
local terms energy: -936.386088
where:
bonds (distance) C4'-P energy: -166.484
bonds (distance) P-C4' energy: -180.304
flat angles C4'-P-C4' energy: -201.637
flat angles P-C4'-P energy: -123.850
tors. eta vs tors. theta energy: -264.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -2819.104810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2819.104810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2819.104810 (E_RNA)
where:
Base-Base interactions energy: -1901.829
where: short stacking energy: -820.516
Base-Backbone interact. energy: -3.476
local terms energy: -913.799748
where:
bonds (distance) C4'-P energy: -172.846
bonds (distance) P-C4' energy: -169.138
flat angles C4'-P-C4' energy: -197.047
flat angles P-C4'-P energy: -134.544
tors. eta vs tors. theta energy: -240.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -2717.120405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2717.120405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2717.120405 (E_RNA)
where:
Base-Base interactions energy: -1885.649
where: short stacking energy: -766.821
Base-Backbone interact. energy: -0.997
local terms energy: -830.474313
where:
bonds (distance) C4'-P energy: -168.746
bonds (distance) P-C4' energy: -152.709
flat angles C4'-P-C4' energy: -171.180
flat angles P-C4'-P energy: -120.296
tors. eta vs tors. theta energy: -217.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -2550.735716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.735716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2550.735716 (E_RNA)
where:
Base-Base interactions energy: -1685.271
where: short stacking energy: -725.531
Base-Backbone interact. energy: -4.711
local terms energy: -860.753490
where:
bonds (distance) C4'-P energy: -161.341
bonds (distance) P-C4' energy: -164.808
flat angles C4'-P-C4' energy: -185.053
flat angles P-C4'-P energy: -130.856
tors. eta vs tors. theta energy: -218.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -2448.158221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2448.158221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2448.158221 (E_RNA)
where:
Base-Base interactions energy: -1611.120
where: short stacking energy: -701.895
Base-Backbone interact. energy: 2.813
local terms energy: -839.851337
where:
bonds (distance) C4'-P energy: -175.837
bonds (distance) P-C4' energy: -170.241
flat angles C4'-P-C4' energy: -167.932
flat angles P-C4'-P energy: -121.117
tors. eta vs tors. theta energy: -204.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -2239.055850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2239.055850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2239.055850 (E_RNA)
where:
Base-Base interactions energy: -1508.388
where: short stacking energy: -645.148
Base-Backbone interact. energy: -0.427
local terms energy: -730.240083
where:
bonds (distance) C4'-P energy: -152.440
bonds (distance) P-C4' energy: -145.506
flat angles C4'-P-C4' energy: -161.802
flat angles P-C4'-P energy: -103.557
tors. eta vs tors. theta energy: -166.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -1586.576997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.576997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.576997 (E_RNA)
where:
Base-Base interactions energy: -951.735
where: short stacking energy: -466.003
Base-Backbone interact. energy: -1.627
local terms energy: -633.215069
where:
bonds (distance) C4'-P energy: -131.290
bonds (distance) P-C4' energy: -163.687
flat angles C4'-P-C4' energy: -152.552
flat angles P-C4'-P energy: -104.995
tors. eta vs tors. theta energy: -80.690
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: 8
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -1349.771525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.771525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.771525 (E_RNA)
where:
Base-Base interactions energy: -772.344
where: short stacking energy: -381.097
Base-Backbone interact. energy: 0.445
local terms energy: -577.872873
where:
bonds (distance) C4'-P energy: -139.802
bonds (distance) P-C4' energy: -134.520
flat angles C4'-P-C4' energy: -150.075
flat angles P-C4'-P energy: -94.599
tors. eta vs tors. theta energy: -58.877
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: 243
Temperature: 1.300000
Total energy: -971.549830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.549830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.549830 (E_RNA)
where:
Base-Base interactions energy: -458.717
where: short stacking energy: -286.047
Base-Backbone interact. energy: 3.920
local terms energy: -516.751979
where:
bonds (distance) C4'-P energy: -146.940
bonds (distance) P-C4' energy: -157.115
flat angles C4'-P-C4' energy: -133.994
flat angles P-C4'-P energy: -82.225
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: 10, replica: 4
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -825.264718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.264718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.264718 (E_RNA)
where:
Base-Base interactions energy: -380.585
where: short stacking energy: -240.853
Base-Backbone interact. energy: 6.960
local terms energy: -451.640115
where:
bonds (distance) C4'-P energy: -123.705
bonds (distance) P-C4' energy: -156.545
flat angles C4'-P-C4' energy: -117.237
flat angles P-C4'-P energy: -61.652
tors. eta vs tors. theta energy: 7.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -3018.158637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3018.158637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3018.158637 (E_RNA)
where:
Base-Base interactions energy: -2066.390
where: short stacking energy: -860.682
Base-Backbone interact. energy: -4.431
local terms energy: -947.337728
where:
bonds (distance) C4'-P energy: -175.219
bonds (distance) P-C4' energy: -189.786
flat angles C4'-P-C4' energy: -188.773
flat angles P-C4'-P energy: -133.721
tors. eta vs tors. theta energy: -259.838
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: 244
Temperature: 0.950000
Total energy: -2865.135217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2865.135217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2865.135217 (E_RNA)
where:
Base-Base interactions energy: -1979.941
where: short stacking energy: -837.291
Base-Backbone interact. energy: -2.875
local terms energy: -882.318560
where:
bonds (distance) C4'-P energy: -168.616
bonds (distance) P-C4' energy: -172.203
flat angles C4'-P-C4' energy: -189.599
flat angles P-C4'-P energy: -103.160
tors. eta vs tors. theta energy: -248.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -2731.028774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2731.028774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2731.028774 (E_RNA)
where:
Base-Base interactions energy: -1858.741
where: short stacking energy: -761.229
Base-Backbone interact. energy: -2.107
local terms energy: -870.181274
where:
bonds (distance) C4'-P energy: -175.498
bonds (distance) P-C4' energy: -166.026
flat angles C4'-P-C4' energy: -192.493
flat angles P-C4'-P energy: -121.527
tors. eta vs tors. theta energy: -214.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -2502.512709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2502.512709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2502.512709 (E_RNA)
where:
Base-Base interactions energy: -1718.968
where: short stacking energy: -745.725
Base-Backbone interact. energy: 1.747
local terms energy: -785.570150
where:
bonds (distance) C4'-P energy: -129.123
bonds (distance) P-C4' energy: -152.196
flat angles C4'-P-C4' energy: -186.581
flat angles P-C4'-P energy: -106.360
tors. eta vs tors. theta energy: -211.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.278 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -2466.740048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2466.740048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2466.740048 (E_RNA)
where:
Base-Base interactions energy: -1694.956
where: short stacking energy: -711.267
Base-Backbone interact. energy: 6.970
local terms energy: -778.754265
where:
bonds (distance) C4'-P energy: -133.513
bonds (distance) P-C4' energy: -152.710
flat angles C4'-P-C4' energy: -183.787
flat angles P-C4'-P energy: -109.895
tors. eta vs tors. theta energy: -198.850
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: 1
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -2246.930291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2246.930291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2246.930291 (E_RNA)
where:
Base-Base interactions energy: -1507.183
where: short stacking energy: -620.466
Base-Backbone interact. energy: -0.294
local terms energy: -739.453247
where:
bonds (distance) C4'-P energy: -175.141
bonds (distance) P-C4' energy: -167.183
flat angles C4'-P-C4' energy: -155.211
flat angles P-C4'-P energy: -87.284
tors. eta vs tors. theta energy: -154.634
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: 7, replica: 9
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -1612.788435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.788435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.788435 (E_RNA)
where:
Base-Base interactions energy: -1021.995
where: short stacking energy: -488.340
Base-Backbone interact. energy: -0.318
local terms energy: -590.474881
where:
bonds (distance) C4'-P energy: -121.201
bonds (distance) P-C4' energy: -153.394
flat angles C4'-P-C4' energy: -133.380
flat angles P-C4'-P energy: -84.319
tors. eta vs tors. theta energy: -98.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -1394.587385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.587385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.587385 (E_RNA)
where:
Base-Base interactions energy: -801.901
where: short stacking energy: -406.571
Base-Backbone interact. energy: -1.046
local terms energy: -591.640021
where:
bonds (distance) C4'-P energy: -142.398
bonds (distance) P-C4' energy: -163.471
flat angles C4'-P-C4' energy: -145.613
flat angles P-C4'-P energy: -93.336
tors. eta vs tors. theta energy: -46.822
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: 244
Temperature: 1.300000
Total energy: -982.791914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.791914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.791914 (E_RNA)
where:
Base-Base interactions energy: -457.165
where: short stacking energy: -263.003
Base-Backbone interact. energy: 3.294
local terms energy: -528.920036
where:
bonds (distance) C4'-P energy: -119.543
bonds (distance) P-C4' energy: -160.146
flat angles C4'-P-C4' energy: -146.020
flat angles P-C4'-P energy: -84.015
tors. eta vs tors. theta energy: -19.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -817.734963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.734963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.734963 (E_RNA)
where:
Base-Base interactions energy: -332.437
where: short stacking energy: -213.545
Base-Backbone interact. energy: 6.180
local terms energy: -491.478148
where:
bonds (distance) C4'-P energy: -153.783
bonds (distance) P-C4' energy: -162.760
flat angles C4'-P-C4' energy: -117.783
flat angles P-C4'-P energy: -73.151
tors. eta vs tors. theta energy: 15.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -3026.939091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3026.939091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3026.939091 (E_RNA)
where:
Base-Base interactions energy: -2061.485
where: short stacking energy: -856.747
Base-Backbone interact. energy: -1.891
local terms energy: -963.563546
where:
bonds (distance) C4'-P energy: -187.475
bonds (distance) P-C4' energy: -191.315
flat angles C4'-P-C4' energy: -193.471
flat angles P-C4'-P energy: -128.557
tors. eta vs tors. theta energy: -262.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -2915.150068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2915.150068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2915.150068 (E_RNA)
where:
Base-Base interactions energy: -1992.461
where: short stacking energy: -863.092
Base-Backbone interact. energy: -7.387
local terms energy: -915.301838
where:
bonds (distance) C4'-P energy: -170.291
bonds (distance) P-C4' energy: -171.425
flat angles C4'-P-C4' energy: -201.114
flat angles P-C4'-P energy: -125.335
tors. eta vs tors. theta energy: -247.137
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: 3
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -2676.918668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2676.918668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2676.918668 (E_RNA)
where:
Base-Base interactions energy: -1870.265
where: short stacking energy: -773.693
Base-Backbone interact. energy: -3.243
local terms energy: -803.410579
where:
bonds (distance) C4'-P energy: -141.421
bonds (distance) P-C4' energy: -175.933
flat angles C4'-P-C4' energy: -171.571
flat angles P-C4'-P energy: -105.317
tors. eta vs tors. theta energy: -209.169
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: 5
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -2528.234282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2528.234282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2528.234282 (E_RNA)
where:
Base-Base interactions energy: -1717.628
where: short stacking energy: -711.996
Base-Backbone interact. energy: -3.112
local terms energy: -807.493891
where:
bonds (distance) C4'-P energy: -157.802
bonds (distance) P-C4' energy: -178.865
flat angles C4'-P-C4' energy: -177.382
flat angles P-C4'-P energy: -98.002
tors. eta vs tors. theta energy: -195.443
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: 6
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -2474.704597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2474.704597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2474.704597 (E_RNA)
where:
Base-Base interactions energy: -1676.210
where: short stacking energy: -690.483
Base-Backbone interact. energy: -2.386
local terms energy: -796.108840
where:
bonds (distance) C4'-P energy: -151.010
bonds (distance) P-C4' energy: -179.096
flat angles C4'-P-C4' energy: -170.265
flat angles P-C4'-P energy: -109.850
tors. eta vs tors. theta energy: -185.887
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: 1
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -2350.652051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2350.652051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2350.652051 (E_RNA)
where:
Base-Base interactions energy: -1571.863
where: short stacking energy: -646.775
Base-Backbone interact. energy: -0.507
local terms energy: -778.281277
where:
bonds (distance) C4'-P energy: -149.863
bonds (distance) P-C4' energy: -155.127
flat angles C4'-P-C4' energy: -166.099
flat angles P-C4'-P energy: -115.584
tors. eta vs tors. theta energy: -191.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -1590.525423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.525423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.525423 (E_RNA)
where:
Base-Base interactions energy: -957.730
where: short stacking energy: -451.284
Base-Backbone interact. energy: -3.933
local terms energy: -628.862445
where:
bonds (distance) C4'-P energy: -145.547
bonds (distance) P-C4' energy: -156.522
flat angles C4'-P-C4' energy: -162.645
flat angles P-C4'-P energy: -92.783
tors. eta vs tors. theta energy: -71.365
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: 8, replica: 8
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -1367.763913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.763913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.763913 (E_RNA)
where:
Base-Base interactions energy: -764.354
where: short stacking energy: -381.602
Base-Backbone interact. energy: 1.870
local terms energy: -605.279811
where:
bonds (distance) C4'-P energy: -149.457
bonds (distance) P-C4' energy: -155.777
flat angles C4'-P-C4' energy: -155.451
flat angles P-C4'-P energy: -85.572
tors. eta vs tors. theta energy: -59.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -968.948395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.948395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.948395 (E_RNA)
where:
Base-Base interactions energy: -465.957
where: short stacking energy: -277.279
Base-Backbone interact. energy: -3.320
local terms energy: -499.671296
where:
bonds (distance) C4'-P energy: -139.596
bonds (distance) P-C4' energy: -140.578
flat angles C4'-P-C4' energy: -123.444
flat angles P-C4'-P energy: -83.292
tors. eta vs tors. theta energy: -12.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -831.513396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.513396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.513396 (E_RNA)
where:
Base-Base interactions energy: -393.500
where: short stacking energy: -229.164
Base-Backbone interact. energy: 7.495
local terms energy: -445.507865
where:
bonds (distance) C4'-P energy: -148.136
bonds (distance) P-C4' energy: -155.913
flat angles C4'-P-C4' energy: -112.355
flat angles P-C4'-P energy: -49.306
tors. eta vs tors. theta energy: 20.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -3063.537719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3063.537719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3063.537719 (E_RNA)
where:
Base-Base interactions energy: -2087.354
where: short stacking energy: -882.059
Base-Backbone interact. energy: -1.693
local terms energy: -974.490854
where:
bonds (distance) C4'-P energy: -179.060
bonds (distance) P-C4' energy: -180.393
flat angles C4'-P-C4' energy: -204.468
flat angles P-C4'-P energy: -132.800
tors. eta vs tors. theta energy: -277.770
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: 246
Temperature: 0.950000
Total energy: -2858.121179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2858.121179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2858.121179 (E_RNA)
where:
Base-Base interactions energy: -1929.704
where: short stacking energy: -800.338
Base-Backbone interact. energy: -4.439
local terms energy: -923.977621
where:
bonds (distance) C4'-P energy: -182.770
bonds (distance) P-C4' energy: -176.133
flat angles C4'-P-C4' energy: -203.859
flat angles P-C4'-P energy: -123.937
tors. eta vs tors. theta energy: -237.278
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: 3
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -2732.107279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2732.107279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2732.107279 (E_RNA)
where:
Base-Base interactions energy: -1869.270
where: short stacking energy: -757.993
Base-Backbone interact. energy: 3.891
local terms energy: -866.728035
where:
bonds (distance) C4'-P energy: -165.340
bonds (distance) P-C4' energy: -180.139
flat angles C4'-P-C4' energy: -179.015
flat angles P-C4'-P energy: -111.271
tors. eta vs tors. theta energy: -230.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -2515.857743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2515.857743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2515.857743 (E_RNA)
where:
Base-Base interactions energy: -1684.211
where: short stacking energy: -699.590
Base-Backbone interact. energy: -4.087
local terms energy: -827.559342
where:
bonds (distance) C4'-P energy: -161.473
bonds (distance) P-C4' energy: -166.984
flat angles C4'-P-C4' energy: -183.420
flat angles P-C4'-P energy: -109.906
tors. eta vs tors. theta energy: -205.777
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: 6
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -2477.300016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2477.300016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2477.300016 (E_RNA)
where:
Base-Base interactions energy: -1673.523
where: short stacking energy: -716.562
Base-Backbone interact. energy: -1.947
local terms energy: -801.830090
where:
bonds (distance) C4'-P energy: -157.722
bonds (distance) P-C4' energy: -149.511
flat angles C4'-P-C4' energy: -170.969
flat angles P-C4'-P energy: -112.400
tors. eta vs tors. theta energy: -211.229
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: 1
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -2299.208253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2299.208253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2299.208253 (E_RNA)
where:
Base-Base interactions energy: -1551.514
where: short stacking energy: -622.552
Base-Backbone interact. energy: -4.226
local terms energy: -743.468139
where:
bonds (distance) C4'-P energy: -140.256
bonds (distance) P-C4' energy: -150.910
flat angles C4'-P-C4' energy: -168.662
flat angles P-C4'-P energy: -101.565
tors. eta vs tors. theta energy: -182.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -1617.064428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.064428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.064428 (E_RNA)
where:
Base-Base interactions energy: -1017.199
where: short stacking energy: -500.093
Base-Backbone interact. energy: -2.569
local terms energy: -597.296662
where:
bonds (distance) C4'-P energy: -142.989
bonds (distance) P-C4' energy: -144.130
flat angles C4'-P-C4' energy: -149.821
flat angles P-C4'-P energy: -72.904
tors. eta vs tors. theta energy: -87.454
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: 8, replica: 8
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -1339.431837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.431837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.431837 (E_RNA)
where:
Base-Base interactions energy: -733.221
where: short stacking energy: -348.155
Base-Backbone interact. energy: 1.047
local terms energy: -607.257568
where:
bonds (distance) C4'-P energy: -134.899
bonds (distance) P-C4' energy: -130.899
flat angles C4'-P-C4' energy: -157.608
flat angles P-C4'-P energy: -112.269
tors. eta vs tors. theta energy: -71.583
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: 2
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -931.753504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.753504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.753504 (E_RNA)
where:
Base-Base interactions energy: -407.557
where: short stacking energy: -226.675
Base-Backbone interact. energy: 2.591
local terms energy: -526.787963
where:
bonds (distance) C4'-P energy: -167.177
bonds (distance) P-C4' energy: -151.563
flat angles C4'-P-C4' energy: -130.026
flat angles P-C4'-P energy: -95.298
tors. eta vs tors. theta energy: 17.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -822.415624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.415624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.415624 (E_RNA)
where:
Base-Base interactions energy: -368.815
where: short stacking energy: -242.527
Base-Backbone interact. energy: 2.913
local terms energy: -456.513866
where:
bonds (distance) C4'-P energy: -115.684
bonds (distance) P-C4' energy: -150.511
flat angles C4'-P-C4' energy: -124.704
flat angles P-C4'-P energy: -75.346
tors. eta vs tors. theta energy: 9.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -3061.667071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3061.667071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3061.667071 (E_RNA)
where:
Base-Base interactions energy: -2108.298
where: short stacking energy: -894.139
Base-Backbone interact. energy: -0.254
local terms energy: -953.115096
where:
bonds (distance) C4'-P energy: -171.445
bonds (distance) P-C4' energy: -167.250
flat angles C4'-P-C4' energy: -205.926
flat angles P-C4'-P energy: -145.004
tors. eta vs tors. theta energy: -263.490
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: 2, replica: 10
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -2828.564642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2828.564642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2828.564642 (E_RNA)
where:
Base-Base interactions energy: -1910.425
where: short stacking energy: -814.636
Base-Backbone interact. energy: -2.475
local terms energy: -915.664805
where:
bonds (distance) C4'-P energy: -159.855
bonds (distance) P-C4' energy: -177.134
flat angles C4'-P-C4' energy: -198.109
flat angles P-C4'-P energy: -123.434
tors. eta vs tors. theta energy: -257.133
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: 3
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -2669.296240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2669.296240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2669.296240 (E_RNA)
where:
Base-Base interactions energy: -1829.023
where: short stacking energy: -739.333
Base-Backbone interact. energy: -0.233
local terms energy: -840.039540
where:
bonds (distance) C4'-P energy: -170.558
bonds (distance) P-C4' energy: -156.951
flat angles C4'-P-C4' energy: -168.768
flat angles P-C4'-P energy: -123.749
tors. eta vs tors. theta energy: -220.014
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: 247
Temperature: 1.050000
Total energy: -2487.218133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2487.218133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2487.218133 (E_RNA)
where:
Base-Base interactions energy: -1696.323
where: short stacking energy: -736.178
Base-Backbone interact. energy: -0.056
local terms energy: -790.839056
where:
bonds (distance) C4'-P energy: -135.408
bonds (distance) P-C4' energy: -154.670
flat angles C4'-P-C4' energy: -186.318
flat angles P-C4'-P energy: -112.378
tors. eta vs tors. theta energy: -202.066
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: 247
Temperature: 1.100000
Total energy: -2413.367150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2413.367150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2413.367150 (E_RNA)
where:
Base-Base interactions energy: -1625.385
where: short stacking energy: -669.904
Base-Backbone interact. energy: -1.314
local terms energy: -786.668297
where:
bonds (distance) C4'-P energy: -150.989
bonds (distance) P-C4' energy: -153.684
flat angles C4'-P-C4' energy: -171.312
flat angles P-C4'-P energy: -120.956
tors. eta vs tors. theta energy: -189.727
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: 1
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -2338.495885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.495885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2338.495885 (E_RNA)
where:
Base-Base interactions energy: -1551.206
where: short stacking energy: -693.953
Base-Backbone interact. energy: -1.396
local terms energy: -785.893757
where:
bonds (distance) C4'-P energy: -144.867
bonds (distance) P-C4' energy: -169.609
flat angles C4'-P-C4' energy: -173.230
flat angles P-C4'-P energy: -101.280
tors. eta vs tors. theta energy: -196.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -1579.158548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.158548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.158548 (E_RNA)
where:
Base-Base interactions energy: -924.611
where: short stacking energy: -429.488
Base-Backbone interact. energy: -2.480
local terms energy: -652.067882
where:
bonds (distance) C4'-P energy: -133.623
bonds (distance) P-C4' energy: -163.498
flat angles C4'-P-C4' energy: -170.844
flat angles P-C4'-P energy: -107.090
tors. eta vs tors. theta energy: -77.012
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: 8
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -1436.209032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.209032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1436.209032 (E_RNA)
where:
Base-Base interactions energy: -821.689
where: short stacking energy: -394.000
Base-Backbone interact. energy: -1.438
local terms energy: -613.081711
where:
bonds (distance) C4'-P energy: -146.850
bonds (distance) P-C4' energy: -161.558
flat angles C4'-P-C4' energy: -149.005
flat angles P-C4'-P energy: -98.949
tors. eta vs tors. theta energy: -56.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -982.829550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.829550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.829550 (E_RNA)
where:
Base-Base interactions energy: -491.377
where: short stacking energy: -289.515
Base-Backbone interact. energy: -0.907
local terms energy: -490.545838
where:
bonds (distance) C4'-P energy: -133.718
bonds (distance) P-C4' energy: -137.439
flat angles C4'-P-C4' energy: -133.267
flat angles P-C4'-P energy: -76.472
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: 10, replica: 4
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -891.526479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.526479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.526479 (E_RNA)
where:
Base-Base interactions energy: -427.768
where: short stacking energy: -234.945
Base-Backbone interact. energy: -5.537
local terms energy: -458.221313
where:
bonds (distance) C4'-P energy: -125.060
bonds (distance) P-C4' energy: -143.273
flat angles C4'-P-C4' energy: -117.602
flat angles P-C4'-P energy: -79.876
tors. eta vs tors. theta energy: 7.591
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: 7
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -3037.868407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3037.868407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3037.868407 (E_RNA)
where:
Base-Base interactions energy: -2057.767
where: short stacking energy: -859.512
Base-Backbone interact. energy: -3.994
local terms energy: -976.107501
where:
bonds (distance) C4'-P energy: -192.433
bonds (distance) P-C4' energy: -180.114
flat angles C4'-P-C4' energy: -209.368
flat angles P-C4'-P energy: -131.840
tors. eta vs tors. theta energy: -262.352
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: 10
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -2897.682339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2897.682339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2897.682339 (E_RNA)
where:
Base-Base interactions energy: -1958.025
where: short stacking energy: -799.055
Base-Backbone interact. energy: -4.151
local terms energy: -935.506255
where:
bonds (distance) C4'-P energy: -171.090
bonds (distance) P-C4' energy: -170.104
flat angles C4'-P-C4' energy: -204.812
flat angles P-C4'-P energy: -141.331
tors. eta vs tors. theta energy: -248.170
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: 3
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -2710.787402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2710.787402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2710.787402 (E_RNA)
where:
Base-Base interactions energy: -1863.792
where: short stacking energy: -771.962
Base-Backbone interact. energy: -5.299
local terms energy: -841.696311
where:
bonds (distance) C4'-P energy: -153.978
bonds (distance) P-C4' energy: -157.756
flat angles C4'-P-C4' energy: -190.159
flat angles P-C4'-P energy: -107.444
tors. eta vs tors. theta energy: -232.359
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: 5
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -2588.795359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2588.795359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2588.795359 (E_RNA)
where:
Base-Base interactions energy: -1779.389
where: short stacking energy: -757.251
Base-Backbone interact. energy: -3.002
local terms energy: -806.404428
where:
bonds (distance) C4'-P energy: -157.790
bonds (distance) P-C4' energy: -156.277
flat angles C4'-P-C4' energy: -168.887
flat angles P-C4'-P energy: -112.708
tors. eta vs tors. theta energy: -210.742
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: 6
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -2411.585076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2411.585076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2411.585076 (E_RNA)
where:
Base-Base interactions energy: -1628.322
where: short stacking energy: -683.964
Base-Backbone interact. energy: -2.863
local terms energy: -780.399974
where:
bonds (distance) C4'-P energy: -160.911
bonds (distance) P-C4' energy: -163.726
flat angles C4'-P-C4' energy: -151.350
flat angles P-C4'-P energy: -111.855
tors. eta vs tors. theta energy: -192.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -2300.359613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2300.359613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2300.359613 (E_RNA)
where:
Base-Base interactions energy: -1541.985
where: short stacking energy: -656.814
Base-Backbone interact. energy: 0.921
local terms energy: -759.295803
where:
bonds (distance) C4'-P energy: -143.334
bonds (distance) P-C4' energy: -161.563
flat angles C4'-P-C4' energy: -169.201
flat angles P-C4'-P energy: -103.539
tors. eta vs tors. theta energy: -181.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -1574.666355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.666355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.666355 (E_RNA)
where:
Base-Base interactions energy: -939.904
where: short stacking energy: -443.670
Base-Backbone interact. energy: -1.566
local terms energy: -633.195849
where:
bonds (distance) C4'-P energy: -135.449
bonds (distance) P-C4' energy: -136.469
flat angles C4'-P-C4' energy: -158.409
flat angles P-C4'-P energy: -119.794
tors. eta vs tors. theta energy: -83.075
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: 8
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -1359.481207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.481207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.481207 (E_RNA)
where:
Base-Base interactions energy: -762.131
where: short stacking energy: -386.056
Base-Backbone interact. energy: 5.976
local terms energy: -603.326332
where:
bonds (distance) C4'-P energy: -143.642
bonds (distance) P-C4' energy: -153.713
flat angles C4'-P-C4' energy: -150.545
flat angles P-C4'-P energy: -102.282
tors. eta vs tors. theta energy: -53.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -990.615728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.615728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.615728 (E_RNA)
where:
Base-Base interactions energy: -475.802
where: short stacking energy: -275.328
Base-Backbone interact. energy: 6.961
local terms energy: -521.775098
where:
bonds (distance) C4'-P energy: -135.384
bonds (distance) P-C4' energy: -170.161
flat angles C4'-P-C4' energy: -138.379
flat angles P-C4'-P energy: -81.636
tors. eta vs tors. theta energy: 3.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -877.997186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.997186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.997186 (E_RNA)
where:
Base-Base interactions energy: -454.288
where: short stacking energy: -244.068
Base-Backbone interact. energy: 3.604
local terms energy: -427.312973
where:
bonds (distance) C4'-P energy: -114.511
bonds (distance) P-C4' energy: -144.133
flat angles C4'-P-C4' energy: -126.399
flat angles P-C4'-P energy: -55.383
tors. eta vs tors. theta energy: 13.113
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: 1, replica: 7
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -3039.178932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3039.178932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3039.178932 (E_RNA)
where:
Base-Base interactions energy: -2107.783
where: short stacking energy: -874.228
Base-Backbone interact. energy: -5.053
local terms energy: -926.342937
where:
bonds (distance) C4'-P energy: -176.315
bonds (distance) P-C4' energy: -162.086
flat angles C4'-P-C4' energy: -199.782
flat angles P-C4'-P energy: -137.065
tors. eta vs tors. theta energy: -251.095
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: 249
Temperature: 0.950000
Total energy: -2896.618393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2896.618393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2896.618393 (E_RNA)
where:
Base-Base interactions energy: -1986.761
where: short stacking energy: -827.969
Base-Backbone interact. energy: -3.077
local terms energy: -906.780927
where:
bonds (distance) C4'-P energy: -163.162
bonds (distance) P-C4' energy: -174.800
flat angles C4'-P-C4' energy: -196.628
flat angles P-C4'-P energy: -118.714
tors. eta vs tors. theta energy: -253.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -2745.391943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2745.391943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2745.391943 (E_RNA)
where:
Base-Base interactions energy: -1903.793
where: short stacking energy: -753.886
Base-Backbone interact. energy: -0.628
local terms energy: -840.970812
where:
bonds (distance) C4'-P energy: -173.596
bonds (distance) P-C4' energy: -145.649
flat angles C4'-P-C4' energy: -179.557
flat angles P-C4'-P energy: -117.747
tors. eta vs tors. theta energy: -224.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -2573.890750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2573.890750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2573.890750 (E_RNA)
where:
Base-Base interactions energy: -1732.645
where: short stacking energy: -748.985
Base-Backbone interact. energy: -6.669
local terms energy: -834.576331
where:
bonds (distance) C4'-P energy: -153.070
bonds (distance) P-C4' energy: -164.697
flat angles C4'-P-C4' energy: -192.169
flat angles P-C4'-P energy: -116.057
tors. eta vs tors. theta energy: -208.583
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: 5, replica: 6
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -2476.418537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2476.418537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2476.418537 (E_RNA)
where:
Base-Base interactions energy: -1678.215
where: short stacking energy: -685.060
Base-Backbone interact. energy: -0.881
local terms energy: -797.322880
where:
bonds (distance) C4'-P energy: -155.343
bonds (distance) P-C4' energy: -175.915
flat angles C4'-P-C4' energy: -179.832
flat angles P-C4'-P energy: -92.276
tors. eta vs tors. theta energy: -193.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -2293.079283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2293.079283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.079283 (E_RNA)
where:
Base-Base interactions energy: -1520.230
where: short stacking energy: -647.454
Base-Backbone interact. energy: -0.136
local terms energy: -772.713304
where:
bonds (distance) C4'-P energy: -166.647
bonds (distance) P-C4' energy: -154.165
flat angles C4'-P-C4' energy: -182.229
flat angles P-C4'-P energy: -108.568
tors. eta vs tors. theta energy: -161.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -1570.523815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.523815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.523815 (E_RNA)
where:
Base-Base interactions energy: -916.288
where: short stacking energy: -465.699
Base-Backbone interact. energy: 0.696
local terms energy: -654.932260
where:
bonds (distance) C4'-P energy: -136.063
bonds (distance) P-C4' energy: -177.243
flat angles C4'-P-C4' energy: -157.675
flat angles P-C4'-P energy: -95.743
tors. eta vs tors. theta energy: -88.208
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: 8
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -1355.313959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.313959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.313959 (E_RNA)
where:
Base-Base interactions energy: -798.770
where: short stacking energy: -401.026
Base-Backbone interact. energy: -2.066
local terms energy: -554.478499
where:
bonds (distance) C4'-P energy: -122.983
bonds (distance) P-C4' energy: -127.836
flat angles C4'-P-C4' energy: -140.299
flat angles P-C4'-P energy: -99.856
tors. eta vs tors. theta energy: -63.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -997.533410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.533410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.533410 (E_RNA)
where:
Base-Base interactions energy: -498.584
where: short stacking energy: -283.517
Base-Backbone interact. energy: -1.788
local terms energy: -497.161046
where:
bonds (distance) C4'-P energy: -121.877
bonds (distance) P-C4' energy: -175.034
flat angles C4'-P-C4' energy: -135.737
flat angles P-C4'-P energy: -63.561
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: 10, replica: 4
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -846.007413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.007413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.007413 (E_RNA)
where:
Base-Base interactions energy: -362.589
where: short stacking energy: -198.519
Base-Backbone interact. energy: -2.601
local terms energy: -480.818078
where:
bonds (distance) C4'-P energy: -150.444
bonds (distance) P-C4' energy: -158.796
flat angles C4'-P-C4' energy: -129.281
flat angles P-C4'-P energy: -69.567
tors. eta vs tors. theta energy: 27.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -3073.945401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3073.945401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3073.945401 (E_RNA)
where:
Base-Base interactions energy: -2089.240
where: short stacking energy: -864.207
Base-Backbone interact. energy: -1.743
local terms energy: -982.962056
where:
bonds (distance) C4'-P energy: -171.172
bonds (distance) P-C4' energy: -182.293
flat angles C4'-P-C4' energy: -213.140
flat angles P-C4'-P energy: -147.426
tors. eta vs tors. theta energy: -268.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -2890.188726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2890.188726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2890.188726 (E_RNA)
where:
Base-Base interactions energy: -1954.651
where: short stacking energy: -860.819
Base-Backbone interact. energy: -5.807
local terms energy: -929.730464
where:
bonds (distance) C4'-P energy: -166.632
bonds (distance) P-C4' energy: -156.522
flat angles C4'-P-C4' energy: -201.949
flat angles P-C4'-P energy: -148.686
tors. eta vs tors. theta energy: -255.941
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: 3
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -2761.776511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2761.776511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2761.776511 (E_RNA)
where:
Base-Base interactions energy: -1912.910
where: short stacking energy: -783.955
Base-Backbone interact. energy: -2.598
local terms energy: -846.268241
where:
bonds (distance) C4'-P energy: -160.925
bonds (distance) P-C4' energy: -163.511
flat angles C4'-P-C4' energy: -191.120
flat angles P-C4'-P energy: -113.939
tors. eta vs tors. theta energy: -216.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -2612.564566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2612.564566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2612.564566 (E_RNA)
where:
Base-Base interactions energy: -1771.042
where: short stacking energy: -728.984
Base-Backbone interact. energy: -1.734
local terms energy: -839.789217
where:
bonds (distance) C4'-P energy: -159.236
bonds (distance) P-C4' energy: -156.590
flat angles C4'-P-C4' energy: -185.371
flat angles P-C4'-P energy: -115.516
tors. eta vs tors. theta energy: -223.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -2414.552753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2414.552753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2414.552753 (E_RNA)
where:
Base-Base interactions energy: -1605.394
where: short stacking energy: -674.116
Base-Backbone interact. energy: -4.647
local terms energy: -804.511402
where:
bonds (distance) C4'-P energy: -147.800
bonds (distance) P-C4' energy: -165.810
flat angles C4'-P-C4' energy: -195.536
flat angles P-C4'-P energy: -114.139
tors. eta vs tors. theta energy: -181.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -2314.640569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.640569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2314.640569 (E_RNA)
where:
Base-Base interactions energy: -1587.129
where: short stacking energy: -640.984
Base-Backbone interact. energy: -3.269
local terms energy: -724.242179
where:
bonds (distance) C4'-P energy: -147.009
bonds (distance) P-C4' energy: -148.434
flat angles C4'-P-C4' energy: -167.033
flat angles P-C4'-P energy: -92.540
tors. eta vs tors. theta energy: -169.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -1588.733991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.733991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.733991 (E_RNA)
where:
Base-Base interactions energy: -1004.174
where: short stacking energy: -456.371
Base-Backbone interact. energy: -0.966
local terms energy: -583.594671
where:
bonds (distance) C4'-P energy: -143.127
bonds (distance) P-C4' energy: -130.738
flat angles C4'-P-C4' energy: -166.150
flat angles P-C4'-P energy: -72.412
tors. eta vs tors. theta energy: -71.168
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: 8
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -1357.473492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.473492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.473492 (E_RNA)
where:
Base-Base interactions energy: -803.051
where: short stacking energy: -403.061
Base-Backbone interact. energy: 2.374
local terms energy: -556.796161
where:
bonds (distance) C4'-P energy: -120.856
bonds (distance) P-C4' energy: -142.035
flat angles C4'-P-C4' energy: -141.967
flat angles P-C4'-P energy: -82.612
tors. eta vs tors. theta energy: -69.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -877.445537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.445537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.445537 (E_RNA)
where:
Base-Base interactions energy: -395.069
where: short stacking energy: -249.338
Base-Backbone interact. energy: 1.535
local terms energy: -483.911697
where:
bonds (distance) C4'-P energy: -143.669
bonds (distance) P-C4' energy: -138.063
flat angles C4'-P-C4' energy: -121.175
flat angles P-C4'-P energy: -78.194
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: 250
Temperature: 1.350000
Total energy: -897.067799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.067799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.067799 (E_RNA)
where:
Base-Base interactions energy: -437.253
where: short stacking energy: -250.613
Base-Backbone interact. energy: 2.061
local terms energy: -461.876136
where:
bonds (distance) C4'-P energy: -140.048
bonds (distance) P-C4' energy: -150.355
flat angles C4'-P-C4' energy: -124.428
flat angles P-C4'-P energy: -68.823
tors. eta vs tors. theta energy: 21.778
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: 1, replica: 7
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -3040.048654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3040.048654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3040.048654 (E_RNA)
where:
Base-Base interactions energy: -2061.887
where: short stacking energy: -847.851
Base-Backbone interact. energy: -3.241
local terms energy: -974.920286
where:
bonds (distance) C4'-P energy: -186.673
bonds (distance) P-C4' energy: -176.884
flat angles C4'-P-C4' energy: -200.951
flat angles P-C4'-P energy: -143.234
tors. eta vs tors. theta energy: -267.178
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: 10
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -2857.816685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2857.816685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2857.816685 (E_RNA)
where:
Base-Base interactions energy: -1923.679
where: short stacking energy: -843.624
Base-Backbone interact. energy: -0.849
local terms energy: -933.288750
where:
bonds (distance) C4'-P energy: -176.010
bonds (distance) P-C4' energy: -169.814
flat angles C4'-P-C4' energy: -191.300
flat angles P-C4'-P energy: -138.939
tors. eta vs tors. theta energy: -257.226
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: 3
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -2698.589370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2698.589370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2698.589370 (E_RNA)
where:
Base-Base interactions energy: -1858.022
where: short stacking energy: -729.076
Base-Backbone interact. energy: 2.741
local terms energy: -843.308344
where:
bonds (distance) C4'-P energy: -174.620
bonds (distance) P-C4' energy: -178.906
flat angles C4'-P-C4' energy: -171.474
flat angles P-C4'-P energy: -130.519
tors. eta vs tors. theta energy: -187.790
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: 5
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -2537.094270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2537.094270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2537.094270 (E_RNA)
where:
Base-Base interactions energy: -1701.957
where: short stacking energy: -709.246
Base-Backbone interact. energy: 0.425
local terms energy: -835.562507
where:
bonds (distance) C4'-P energy: -173.709
bonds (distance) P-C4' energy: -156.604
flat angles C4'-P-C4' energy: -176.087
flat angles P-C4'-P energy: -120.535
tors. eta vs tors. theta energy: -208.627
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: 6
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -2463.369792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2463.369792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2463.369792 (E_RNA)
where:
Base-Base interactions energy: -1688.989
where: short stacking energy: -684.761
Base-Backbone interact. energy: -1.509
local terms energy: -772.872285
where:
bonds (distance) C4'-P energy: -139.404
bonds (distance) P-C4' energy: -167.641
flat angles C4'-P-C4' energy: -168.639
flat angles P-C4'-P energy: -111.372
tors. eta vs tors. theta energy: -185.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -2249.627210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2249.627210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2249.627210 (E_RNA)
where:
Base-Base interactions energy: -1517.216
where: short stacking energy: -612.670
Base-Backbone interact. energy: 1.656
local terms energy: -734.067523
where:
bonds (distance) C4'-P energy: -158.821
bonds (distance) P-C4' energy: -148.750
flat angles C4'-P-C4' energy: -171.846
flat angles P-C4'-P energy: -108.755
tors. eta vs tors. theta energy: -145.895
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: 9
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -1590.378094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.378094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.378094 (E_RNA)
where:
Base-Base interactions energy: -970.500
where: short stacking energy: -442.291
Base-Backbone interact. energy: -3.585
local terms energy: -616.292498
where:
bonds (distance) C4'-P energy: -150.977
bonds (distance) P-C4' energy: -154.819
flat angles C4'-P-C4' energy: -141.766
flat angles P-C4'-P energy: -96.314
tors. eta vs tors. theta energy: -72.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -1403.298385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.298385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.298385 (E_RNA)
where:
Base-Base interactions energy: -830.343
where: short stacking energy: -408.863
Base-Backbone interact. energy: -0.519
local terms energy: -572.436041
where:
bonds (distance) C4'-P energy: -149.512
bonds (distance) P-C4' energy: -140.718
flat angles C4'-P-C4' energy: -133.654
flat angles P-C4'-P energy: -98.909
tors. eta vs tors. theta energy: -49.643
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: 4
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -861.698005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.698005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.698005 (E_RNA)
where:
Base-Base interactions energy: -379.661
where: short stacking energy: -262.934
Base-Backbone interact. energy: 0.389
local terms energy: -482.426011
where:
bonds (distance) C4'-P energy: -144.707
bonds (distance) P-C4' energy: -140.931
flat angles C4'-P-C4' energy: -114.084
flat angles P-C4'-P energy: -94.364
tors. eta vs tors. theta energy: 11.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -851.792881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.792881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.792881 (E_RNA)
where:
Base-Base interactions energy: -390.258
where: short stacking energy: -214.807
Base-Backbone interact. energy: 4.326
local terms energy: -465.860706
where:
bonds (distance) C4'-P energy: -146.527
bonds (distance) P-C4' energy: -145.017
flat angles C4'-P-C4' energy: -124.837
flat angles P-C4'-P energy: -61.249
tors. eta vs tors. theta energy: 11.770
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: 1, replica: 7
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -3076.137387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3076.137387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3076.137387 (E_RNA)
where:
Base-Base interactions energy: -2104.409
where: short stacking energy: -910.527
Base-Backbone interact. energy: -3.234
local terms energy: -968.493558
where:
bonds (distance) C4'-P energy: -172.258
bonds (distance) P-C4' energy: -182.820
flat angles C4'-P-C4' energy: -210.010
flat angles P-C4'-P energy: -128.960
tors. eta vs tors. theta energy: -274.445
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: 10
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -2858.182161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2858.182161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2858.182161 (E_RNA)
where:
Base-Base interactions energy: -1926.922
where: short stacking energy: -833.928
Base-Backbone interact. energy: -1.656
local terms energy: -929.603574
where:
bonds (distance) C4'-P energy: -174.353
bonds (distance) P-C4' energy: -172.018
flat angles C4'-P-C4' energy: -213.710
flat angles P-C4'-P energy: -124.762
tors. eta vs tors. theta energy: -244.760
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: 3
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -2723.187664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2723.187664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2723.187664 (E_RNA)
where:
Base-Base interactions energy: -1885.354
where: short stacking energy: -751.787
Base-Backbone interact. energy: 0.102
local terms energy: -837.935211
where:
bonds (distance) C4'-P energy: -142.891
bonds (distance) P-C4' energy: -160.207
flat angles C4'-P-C4' energy: -191.733
flat angles P-C4'-P energy: -124.424
tors. eta vs tors. theta energy: -218.680
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: 5
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -2510.945792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2510.945792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2510.945792 (E_RNA)
where:
Base-Base interactions energy: -1693.492
where: short stacking energy: -708.546
Base-Backbone interact. energy: -3.353
local terms energy: -814.101090
where:
bonds (distance) C4'-P energy: -142.458
bonds (distance) P-C4' energy: -168.283
flat angles C4'-P-C4' energy: -176.944
flat angles P-C4'-P energy: -117.962
tors. eta vs tors. theta energy: -208.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -2485.975408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2485.975408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2485.975408 (E_RNA)
where:
Base-Base interactions energy: -1689.165
where: short stacking energy: -693.819
Base-Backbone interact. energy: -2.335
local terms energy: -794.475337
where:
bonds (distance) C4'-P energy: -157.046
bonds (distance) P-C4' energy: -164.610
flat angles C4'-P-C4' energy: -176.689
flat angles P-C4'-P energy: -101.724
tors. eta vs tors. theta energy: -194.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -2219.386684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2219.386684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.386684 (E_RNA)
where:
Base-Base interactions energy: -1491.686
where: short stacking energy: -601.481
Base-Backbone interact. energy: -3.265
local terms energy: -724.435139
where:
bonds (distance) C4'-P energy: -144.046
bonds (distance) P-C4' energy: -145.486
flat angles C4'-P-C4' energy: -178.420
flat angles P-C4'-P energy: -92.884
tors. eta vs tors. theta energy: -163.599
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: 9
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -1633.020096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.020096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.020096 (E_RNA)
where:
Base-Base interactions energy: -1016.068
where: short stacking energy: -460.323
Base-Backbone interact. energy: 2.221
local terms energy: -619.173096
where:
bonds (distance) C4'-P energy: -143.975
bonds (distance) P-C4' energy: -167.958
flat angles C4'-P-C4' energy: -140.701
flat angles P-C4'-P energy: -81.953
tors. eta vs tors. theta energy: -84.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -1391.459665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.459665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.459665 (E_RNA)
where:
Base-Base interactions energy: -809.670
where: short stacking energy: -393.819
Base-Backbone interact. energy: -0.019
local terms energy: -581.770395
where:
bonds (distance) C4'-P energy: -155.728
bonds (distance) P-C4' energy: -141.856
flat angles C4'-P-C4' energy: -145.222
flat angles P-C4'-P energy: -77.956
tors. eta vs tors. theta energy: -61.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -928.591993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.591993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.591993 (E_RNA)
where:
Base-Base interactions energy: -439.861
where: short stacking energy: -270.754
Base-Backbone interact. energy: -1.880
local terms energy: -486.851274
where:
bonds (distance) C4'-P energy: -118.549
bonds (distance) P-C4' energy: -173.687
flat angles C4'-P-C4' energy: -125.416
flat angles P-C4'-P energy: -79.583
tors. eta vs tors. theta energy: 10.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -853.026873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.026873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.026873 (E_RNA)
where:
Base-Base interactions energy: -411.315
where: short stacking energy: -233.158
Base-Backbone interact. energy: 3.365
local terms energy: -445.076801
where:
bonds (distance) C4'-P energy: -147.880
bonds (distance) P-C4' energy: -123.142
flat angles C4'-P-C4' energy: -139.322
flat angles P-C4'-P energy: -55.810
tors. eta vs tors. theta energy: 21.077
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: 253
Temperature: 0.900000
Total energy: -3068.230611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3068.230611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3068.230611 (E_RNA)
where:
Base-Base interactions energy: -2105.164
where: short stacking energy: -911.052
Base-Backbone interact. energy: -3.984
local terms energy: -959.083126
where:
bonds (distance) C4'-P energy: -174.835
bonds (distance) P-C4' energy: -180.406
flat angles C4'-P-C4' energy: -203.202
flat angles P-C4'-P energy: -123.001
tors. eta vs tors. theta energy: -277.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -2831.069872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2831.069872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2831.069872 (E_RNA)
where:
Base-Base interactions energy: -1918.943
where: short stacking energy: -846.574
Base-Backbone interact. energy: 2.887
local terms energy: -915.013715
where:
bonds (distance) C4'-P energy: -181.135
bonds (distance) P-C4' energy: -167.814
flat angles C4'-P-C4' energy: -190.807
flat angles P-C4'-P energy: -130.209
tors. eta vs tors. theta energy: -245.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -2694.213333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2694.213333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2694.213333 (E_RNA)
where:
Base-Base interactions energy: -1862.861
where: short stacking energy: -737.041
Base-Backbone interact. energy: -1.620
local terms energy: -829.732599
where:
bonds (distance) C4'-P energy: -164.554
bonds (distance) P-C4' energy: -163.467
flat angles C4'-P-C4' energy: -177.338
flat angles P-C4'-P energy: -121.484
tors. eta vs tors. theta energy: -202.889
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: 6
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -2530.533286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2530.533286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2530.533286 (E_RNA)
where:
Base-Base interactions energy: -1731.898
where: short stacking energy: -695.678
Base-Backbone interact. energy: -3.158
local terms energy: -795.477040
where:
bonds (distance) C4'-P energy: -140.297
bonds (distance) P-C4' energy: -178.057
flat angles C4'-P-C4' energy: -164.199
flat angles P-C4'-P energy: -106.924
tors. eta vs tors. theta energy: -206.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -2406.829941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2406.829941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2406.829941 (E_RNA)
where:
Base-Base interactions energy: -1586.989
where: short stacking energy: -655.549
Base-Backbone interact. energy: -1.730
local terms energy: -818.110766
where:
bonds (distance) C4'-P energy: -146.575
bonds (distance) P-C4' energy: -172.725
flat angles C4'-P-C4' energy: -185.477
flat angles P-C4'-P energy: -120.450
tors. eta vs tors. theta energy: -192.884
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: 253
Temperature: 1.150000
Total energy: -2205.842609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2205.842609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2205.842609 (E_RNA)
where:
Base-Base interactions energy: -1463.072
where: short stacking energy: -599.588
Base-Backbone interact. energy: -6.159
local terms energy: -736.612176
where:
bonds (distance) C4'-P energy: -159.599
bonds (distance) P-C4' energy: -140.110
flat angles C4'-P-C4' energy: -171.264
flat angles P-C4'-P energy: -96.822
tors. eta vs tors. theta energy: -168.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -1648.065252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.065252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.065252 (E_RNA)
where:
Base-Base interactions energy: -1003.016
where: short stacking energy: -461.952
Base-Backbone interact. energy: -0.033
local terms energy: -645.492477
where:
bonds (distance) C4'-P energy: -154.118
bonds (distance) P-C4' energy: -125.276
flat angles C4'-P-C4' energy: -165.708
flat angles P-C4'-P energy: -104.234
tors. eta vs tors. theta energy: -96.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.475 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -1319.820871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.820871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.820871 (E_RNA)
where:
Base-Base interactions energy: -772.311
where: short stacking energy: -372.568
Base-Backbone interact. energy: -2.457
local terms energy: -545.052655
where:
bonds (distance) C4'-P energy: -144.716
bonds (distance) P-C4' energy: -159.380
flat angles C4'-P-C4' energy: -130.737
flat angles P-C4'-P energy: -78.901
tors. eta vs tors. theta energy: -31.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -877.555026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.555026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.555026 (E_RNA)
where:
Base-Base interactions energy: -430.753
where: short stacking energy: -269.921
Base-Backbone interact. energy: 2.453
local terms energy: -449.255856
where:
bonds (distance) C4'-P energy: -139.397
bonds (distance) P-C4' energy: -126.656
flat angles C4'-P-C4' energy: -117.509
flat angles P-C4'-P energy: -74.981
tors. eta vs tors. theta energy: 9.287
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: 253
Temperature: 1.350000
Total energy: -840.552944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.552944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.552944 (E_RNA)
where:
Base-Base interactions energy: -376.869
where: short stacking energy: -216.376
Base-Backbone interact. energy: 0.368
local terms energy: -464.051452
where:
bonds (distance) C4'-P energy: -140.971
bonds (distance) P-C4' energy: -125.740
flat angles C4'-P-C4' energy: -133.702
flat angles P-C4'-P energy: -92.699
tors. eta vs tors. theta energy: 29.061
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: 7
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -3050.550995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3050.550995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3050.550995 (E_RNA)
where:
Base-Base interactions energy: -2106.840
where: short stacking energy: -884.550
Base-Backbone interact. energy: -2.176
local terms energy: -941.534625
where:
bonds (distance) C4'-P energy: -183.015
bonds (distance) P-C4' energy: -171.173
flat angles C4'-P-C4' energy: -192.701
flat angles P-C4'-P energy: -130.134
tors. eta vs tors. theta energy: -264.511
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: 254
Temperature: 0.950000
Total energy: -2856.708274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2856.708274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2856.708274 (E_RNA)
where:
Base-Base interactions energy: -1932.442
where: short stacking energy: -830.002
Base-Backbone interact. energy: 3.236
local terms energy: -927.501865
where:
bonds (distance) C4'-P energy: -168.301
bonds (distance) P-C4' energy: -182.125
flat angles C4'-P-C4' energy: -198.820
flat angles P-C4'-P energy: -121.029
tors. eta vs tors. theta energy: -257.228
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: 3
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -2744.166723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2744.166723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2744.166723 (E_RNA)
where:
Base-Base interactions energy: -1890.630
where: short stacking energy: -775.565
Base-Backbone interact. energy: -3.310
local terms energy: -850.227332
where:
bonds (distance) C4'-P energy: -173.644
bonds (distance) P-C4' energy: -151.984
flat angles C4'-P-C4' energy: -173.477
flat angles P-C4'-P energy: -118.231
tors. eta vs tors. theta energy: -232.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -2506.344585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2506.344585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2506.344585 (E_RNA)
where:
Base-Base interactions energy: -1690.270
where: short stacking energy: -727.379
Base-Backbone interact. energy: -4.833
local terms energy: -811.241100
where:
bonds (distance) C4'-P energy: -145.899
bonds (distance) P-C4' energy: -161.585
flat angles C4'-P-C4' energy: -189.175
flat angles P-C4'-P energy: -121.987
tors. eta vs tors. theta energy: -192.595
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: 5
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -2272.753994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2272.753994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2272.753994 (E_RNA)
where:
Base-Base interactions energy: -1512.209
where: short stacking energy: -660.259
Base-Backbone interact. energy: 0.376
local terms energy: -760.921513
where:
bonds (distance) C4'-P energy: -151.988
bonds (distance) P-C4' energy: -163.109
flat angles C4'-P-C4' energy: -158.976
flat angles P-C4'-P energy: -105.410
tors. eta vs tors. theta energy: -181.439
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: 6, replica: 1
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -2148.524519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.524519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.524519 (E_RNA)
where:
Base-Base interactions energy: -1409.957
where: short stacking energy: -547.147
Base-Backbone interact. energy: 5.086
local terms energy: -743.653152
where:
bonds (distance) C4'-P energy: -149.835
bonds (distance) P-C4' energy: -160.844
flat angles C4'-P-C4' energy: -161.987
flat angles P-C4'-P energy: -115.889
tors. eta vs tors. theta energy: -155.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -1631.076830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.076830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.076830 (E_RNA)
where:
Base-Base interactions energy: -1001.362
where: short stacking energy: -445.890
Base-Backbone interact. energy: -4.458
local terms energy: -625.257248
where:
bonds (distance) C4'-P energy: -148.141
bonds (distance) P-C4' energy: -169.420
flat angles C4'-P-C4' energy: -132.426
flat angles P-C4'-P energy: -92.360
tors. eta vs tors. theta energy: -82.910
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: 8
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -1292.627164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.627164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.627164 (E_RNA)
where:
Base-Base interactions energy: -725.168
where: short stacking energy: -370.757
Base-Backbone interact. energy: 1.766
local terms energy: -569.224650
where:
bonds (distance) C4'-P energy: -150.261
bonds (distance) P-C4' energy: -157.942
flat angles C4'-P-C4' energy: -116.823
flat angles P-C4'-P energy: -96.596
tors. eta vs tors. theta energy: -47.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -890.721896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.721896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.721896 (E_RNA)
where:
Base-Base interactions energy: -412.406
where: short stacking energy: -250.968
Base-Backbone interact. energy: -0.007
local terms energy: -478.309382
where:
bonds (distance) C4'-P energy: -119.777
bonds (distance) P-C4' energy: -161.907
flat angles C4'-P-C4' energy: -139.330
flat angles P-C4'-P energy: -57.690
tors. eta vs tors. theta energy: 0.395
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: 2
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -855.994491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.994491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.994491 (E_RNA)
where:
Base-Base interactions energy: -412.523
where: short stacking energy: -234.540
Base-Backbone interact. energy: -1.216
local terms energy: -442.255270
where:
bonds (distance) C4'-P energy: -119.760
bonds (distance) P-C4' energy: -155.080
flat angles C4'-P-C4' energy: -117.328
flat angles P-C4'-P energy: -72.487
tors. eta vs tors. theta energy: 22.399
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: 255
Temperature: 0.900000
Total energy: -3042.467789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3042.467789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3042.467789 (E_RNA)
where:
Base-Base interactions energy: -2093.194
where: short stacking energy: -868.341
Base-Backbone interact. energy: -1.060
local terms energy: -948.214360
where:
bonds (distance) C4'-P energy: -163.090
bonds (distance) P-C4' energy: -177.558
flat angles C4'-P-C4' energy: -206.216
flat angles P-C4'-P energy: -138.105
tors. eta vs tors. theta energy: -263.245
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: 255
Temperature: 0.950000
Total energy: -2842.744186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2842.744186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2842.744186 (E_RNA)
where:
Base-Base interactions energy: -1926.843
where: short stacking energy: -831.046
Base-Backbone interact. energy: -3.329
local terms energy: -912.571733
where:
bonds (distance) C4'-P energy: -170.338
bonds (distance) P-C4' energy: -177.840
flat angles C4'-P-C4' energy: -198.121
flat angles P-C4'-P energy: -123.700
tors. eta vs tors. theta energy: -242.574
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: 3
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -2723.040367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2723.040367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2723.040367 (E_RNA)
where:
Base-Base interactions energy: -1855.464
where: short stacking energy: -732.436
Base-Backbone interact. energy: 0.024
local terms energy: -867.600321
where:
bonds (distance) C4'-P energy: -161.184
bonds (distance) P-C4' energy: -177.464
flat angles C4'-P-C4' energy: -189.933
flat angles P-C4'-P energy: -117.112
tors. eta vs tors. theta energy: -221.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -2490.405666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2490.405666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2490.405666 (E_RNA)
where:
Base-Base interactions energy: -1681.648
where: short stacking energy: -720.619
Base-Backbone interact. energy: -2.106
local terms energy: -806.651343
where:
bonds (distance) C4'-P energy: -151.449
bonds (distance) P-C4' energy: -164.466
flat angles C4'-P-C4' energy: -182.453
flat angles P-C4'-P energy: -112.417
tors. eta vs tors. theta energy: -195.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -2265.745412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.745412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2265.745412 (E_RNA)
where:
Base-Base interactions energy: -1480.443
where: short stacking energy: -657.883
Base-Backbone interact. energy: 0.067
local terms energy: -785.369639
where:
bonds (distance) C4'-P energy: -147.585
bonds (distance) P-C4' energy: -161.309
flat angles C4'-P-C4' energy: -169.969
flat angles P-C4'-P energy: -108.086
tors. eta vs tors. theta energy: -198.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -2156.131860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.131860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2156.131860 (E_RNA)
where:
Base-Base interactions energy: -1424.039
where: short stacking energy: -615.258
Base-Backbone interact. energy: -1.665
local terms energy: -730.428095
where:
bonds (distance) C4'-P energy: -131.374
bonds (distance) P-C4' energy: -163.808
flat angles C4'-P-C4' energy: -163.004
flat angles P-C4'-P energy: -101.754
tors. eta vs tors. theta energy: -170.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -1532.745503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.745503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.745503 (E_RNA)
where:
Base-Base interactions energy: -948.837
where: short stacking energy: -412.009
Base-Backbone interact. energy: 1.278
local terms energy: -585.185693
where:
bonds (distance) C4'-P energy: -135.702
bonds (distance) P-C4' energy: -148.317
flat angles C4'-P-C4' energy: -153.975
flat angles P-C4'-P energy: -83.823
tors. eta vs tors. theta energy: -63.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -1330.329240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.329240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.329240 (E_RNA)
where:
Base-Base interactions energy: -773.511
where: short stacking energy: -383.336
Base-Backbone interact. energy: -2.148
local terms energy: -554.669566
where:
bonds (distance) C4'-P energy: -137.559
bonds (distance) P-C4' energy: -142.067
flat angles C4'-P-C4' energy: -133.615
flat angles P-C4'-P energy: -84.698
tors. eta vs tors. theta energy: -56.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -880.188406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.188406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.188406 (E_RNA)
where:
Base-Base interactions energy: -394.179
where: short stacking energy: -248.736
Base-Backbone interact. energy: -2.167
local terms energy: -483.842284
where:
bonds (distance) C4'-P energy: -146.272
bonds (distance) P-C4' energy: -165.351
flat angles C4'-P-C4' energy: -136.434
flat angles P-C4'-P energy: -62.351
tors. eta vs tors. theta energy: 26.566
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: 255
Temperature: 1.350000
Total energy: -885.684425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.684425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.684425 (E_RNA)
where:
Base-Base interactions energy: -420.019
where: short stacking energy: -248.948
Base-Backbone interact. energy: -1.402
local terms energy: -464.263498
where:
bonds (distance) C4'-P energy: -137.608
bonds (distance) P-C4' energy: -153.098
flat angles C4'-P-C4' energy: -124.133
flat angles P-C4'-P energy: -51.599
tors. eta vs tors. theta energy: 2.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -3072.383723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3072.383723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3072.383723 (E_RNA)
where:
Base-Base interactions energy: -2113.410
where: short stacking energy: -886.942
Base-Backbone interact. energy: -3.274
local terms energy: -955.700202
where:
bonds (distance) C4'-P energy: -163.877
bonds (distance) P-C4' energy: -189.097
flat angles C4'-P-C4' energy: -208.379
flat angles P-C4'-P energy: -134.499
tors. eta vs tors. theta energy: -259.848
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: 10
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -2889.669175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2889.669175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2889.669175 (E_RNA)
where:
Base-Base interactions energy: -1976.863
where: short stacking energy: -850.011
Base-Backbone interact. energy: -4.964
local terms energy: -907.841621
where:
bonds (distance) C4'-P energy: -169.282
bonds (distance) P-C4' energy: -166.095
flat angles C4'-P-C4' energy: -204.060
flat angles P-C4'-P energy: -121.113
tors. eta vs tors. theta energy: -247.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -2702.190981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2702.190981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2702.190981 (E_RNA)
where:
Base-Base interactions energy: -1859.447
where: short stacking energy: -732.180
Base-Backbone interact. energy: -1.553
local terms energy: -841.190817
where:
bonds (distance) C4'-P energy: -154.379
bonds (distance) P-C4' energy: -162.400
flat angles C4'-P-C4' energy: -196.100
flat angles P-C4'-P energy: -121.434
tors. eta vs tors. theta energy: -206.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -2471.699945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2471.699945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2471.699945 (E_RNA)
where:
Base-Base interactions energy: -1612.713
where: short stacking energy: -709.424
Base-Backbone interact. energy: -0.445
local terms energy: -858.541906
where:
bonds (distance) C4'-P energy: -168.598
bonds (distance) P-C4' energy: -159.816
flat angles C4'-P-C4' energy: -202.963
flat angles P-C4'-P energy: -125.835
tors. eta vs tors. theta energy: -201.329
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: 256
Temperature: 1.100000
Total energy: -2262.036121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2262.036121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.036121 (E_RNA)
where:
Base-Base interactions energy: -1494.112
where: short stacking energy: -631.238
Base-Backbone interact. energy: -4.896
local terms energy: -763.027754
where:
bonds (distance) C4'-P energy: -148.175
bonds (distance) P-C4' energy: -165.144
flat angles C4'-P-C4' energy: -163.218
flat angles P-C4'-P energy: -111.773
tors. eta vs tors. theta energy: -174.717
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: 1
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -2190.049883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2190.049883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2190.049883 (E_RNA)
where:
Base-Base interactions energy: -1506.226
where: short stacking energy: -617.133
Base-Backbone interact. energy: -3.584
local terms energy: -680.240258
where:
bonds (distance) C4'-P energy: -139.005
bonds (distance) P-C4' energy: -134.836
flat angles C4'-P-C4' energy: -151.949
flat angles P-C4'-P energy: -103.968
tors. eta vs tors. theta energy: -150.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -1570.750421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.750421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.750421 (E_RNA)
where:
Base-Base interactions energy: -952.792
where: short stacking energy: -459.657
Base-Backbone interact. energy: -1.017
local terms energy: -616.940622
where:
bonds (distance) C4'-P energy: -135.611
bonds (distance) P-C4' energy: -160.710
flat angles C4'-P-C4' energy: -150.055
flat angles P-C4'-P energy: -85.835
tors. eta vs tors. theta energy: -84.730
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: 8
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -1318.177000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.177000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.177000 (E_RNA)
where:
Base-Base interactions energy: -731.543
where: short stacking energy: -372.277
Base-Backbone interact. energy: 0.735
local terms energy: -587.369203
where:
bonds (distance) C4'-P energy: -142.343
bonds (distance) P-C4' energy: -160.172
flat angles C4'-P-C4' energy: -139.374
flat angles P-C4'-P energy: -92.393
tors. eta vs tors. theta energy: -53.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -959.270916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.270916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.270916 (E_RNA)
where:
Base-Base interactions energy: -446.523
where: short stacking energy: -272.397
Base-Backbone interact. energy: -2.375
local terms energy: -510.372572
where:
bonds (distance) C4'-P energy: -147.014
bonds (distance) P-C4' energy: -137.935
flat angles C4'-P-C4' energy: -126.061
flat angles P-C4'-P energy: -101.644
tors. eta vs tors. theta energy: 2.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -879.161837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.161837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.161837 (E_RNA)
where:
Base-Base interactions energy: -378.189
where: short stacking energy: -212.916
Base-Backbone interact. energy: 4.219
local terms energy: -505.191966
where:
bonds (distance) C4'-P energy: -146.166
bonds (distance) P-C4' energy: -148.848
flat angles C4'-P-C4' energy: -132.565
flat angles P-C4'-P energy: -76.748
tors. eta vs tors. theta energy: -0.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -3082.975475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3082.975475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3082.975475 (E_RNA)
where:
Base-Base interactions energy: -2136.028
where: short stacking energy: -888.898
Base-Backbone interact. energy: 0.657
local terms energy: -947.604507
where:
bonds (distance) C4'-P energy: -177.084
bonds (distance) P-C4' energy: -161.156
flat angles C4'-P-C4' energy: -193.503
flat angles P-C4'-P energy: -137.829
tors. eta vs tors. theta energy: -278.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -2918.726560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2918.726560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2918.726560 (E_RNA)
where:
Base-Base interactions energy: -1964.048
where: short stacking energy: -828.550
Base-Backbone interact. energy: -1.473
local terms energy: -953.205756
where:
bonds (distance) C4'-P energy: -177.953
bonds (distance) P-C4' energy: -196.642
flat angles C4'-P-C4' energy: -190.934
flat angles P-C4'-P energy: -126.929
tors. eta vs tors. theta energy: -260.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -2763.136664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2763.136664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2763.136664 (E_RNA)
where:
Base-Base interactions energy: -1939.416
where: short stacking energy: -789.694
Base-Backbone interact. energy: 4.648
local terms energy: -828.368766
where:
bonds (distance) C4'-P energy: -157.823
bonds (distance) P-C4' energy: -158.248
flat angles C4'-P-C4' energy: -179.726
flat angles P-C4'-P energy: -108.524
tors. eta vs tors. theta energy: -224.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -2489.990478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2489.990478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2489.990478 (E_RNA)
where:
Base-Base interactions energy: -1646.794
where: short stacking energy: -691.230
Base-Backbone interact. energy: -3.504
local terms energy: -839.692392
where:
bonds (distance) C4'-P energy: -168.267
bonds (distance) P-C4' energy: -172.245
flat angles C4'-P-C4' energy: -193.506
flat angles P-C4'-P energy: -117.300
tors. eta vs tors. theta energy: -188.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -2288.310606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2288.310606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2288.310606 (E_RNA)
where:
Base-Base interactions energy: -1527.848
where: short stacking energy: -648.447
Base-Backbone interact. energy: 0.803
local terms energy: -761.265249
where:
bonds (distance) C4'-P energy: -167.931
bonds (distance) P-C4' energy: -150.933
flat angles C4'-P-C4' energy: -164.055
flat angles P-C4'-P energy: -96.494
tors. eta vs tors. theta energy: -181.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -2237.115847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.115847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.115847 (E_RNA)
where:
Base-Base interactions energy: -1466.409
where: short stacking energy: -610.338
Base-Backbone interact. energy: -0.510
local terms energy: -770.197090
where:
bonds (distance) C4'-P energy: -149.872
bonds (distance) P-C4' energy: -158.977
flat angles C4'-P-C4' energy: -181.782
flat angles P-C4'-P energy: -105.437
tors. eta vs tors. theta energy: -174.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -1602.850996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.850996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.850996 (E_RNA)
where:
Base-Base interactions energy: -979.693
where: short stacking energy: -417.635
Base-Backbone interact. energy: 0.302
local terms energy: -623.460064
where:
bonds (distance) C4'-P energy: -133.914
bonds (distance) P-C4' energy: -152.933
flat angles C4'-P-C4' energy: -162.323
flat angles P-C4'-P energy: -101.303
tors. eta vs tors. theta energy: -72.986
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: 8
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -1272.099465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.099465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.099465 (E_RNA)
where:
Base-Base interactions energy: -745.722
where: short stacking energy: -377.933
Base-Backbone interact. energy: -3.389
local terms energy: -522.988713
where:
bonds (distance) C4'-P energy: -124.714
bonds (distance) P-C4' energy: -153.558
flat angles C4'-P-C4' energy: -134.782
flat angles P-C4'-P energy: -66.687
tors. eta vs tors. theta energy: -43.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -969.696871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.696871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.696871 (E_RNA)
where:
Base-Base interactions energy: -472.826
where: short stacking energy: -283.164
Base-Backbone interact. energy: 2.001
local terms energy: -498.871265
where:
bonds (distance) C4'-P energy: -156.664
bonds (distance) P-C4' energy: -145.572
flat angles C4'-P-C4' energy: -129.093
flat angles P-C4'-P energy: -60.723
tors. eta vs tors. theta energy: -6.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -811.447122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.447122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.447122 (E_RNA)
where:
Base-Base interactions energy: -343.148
where: short stacking energy: -218.267
Base-Backbone interact. energy: -1.467
local terms energy: -466.832498
where:
bonds (distance) C4'-P energy: -118.463
bonds (distance) P-C4' energy: -162.858
flat angles C4'-P-C4' energy: -149.336
flat angles P-C4'-P energy: -59.933
tors. eta vs tors. theta energy: 23.757
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: 7
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -3050.018089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3050.018089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3050.018089 (E_RNA)
where:
Base-Base interactions energy: -2094.540
where: short stacking energy: -869.905
Base-Backbone interact. energy: -3.368
local terms energy: -952.110342
where:
bonds (distance) C4'-P energy: -181.186
bonds (distance) P-C4' energy: -177.447
flat angles C4'-P-C4' energy: -197.064
flat angles P-C4'-P energy: -134.684
tors. eta vs tors. theta energy: -261.729
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: 10
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -2842.141996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2842.141996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2842.141996 (E_RNA)
where:
Base-Base interactions energy: -1906.285
where: short stacking energy: -813.738
Base-Backbone interact. energy: -3.908
local terms energy: -931.948817
where:
bonds (distance) C4'-P energy: -180.758
bonds (distance) P-C4' energy: -181.114
flat angles C4'-P-C4' energy: -200.614
flat angles P-C4'-P energy: -126.186
tors. eta vs tors. theta energy: -243.277
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: 3
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -2758.770615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2758.770615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2758.770615 (E_RNA)
where:
Base-Base interactions energy: -1912.848
where: short stacking energy: -743.428
Base-Backbone interact. energy: -3.623
local terms energy: -842.299764
where:
bonds (distance) C4'-P energy: -163.363
bonds (distance) P-C4' energy: -156.616
flat angles C4'-P-C4' energy: -180.011
flat angles P-C4'-P energy: -126.705
tors. eta vs tors. theta energy: -215.605
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: 4, replica: 6
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -2553.602119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2553.602119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2553.602119 (E_RNA)
where:
Base-Base interactions energy: -1734.071
where: short stacking energy: -715.480
Base-Backbone interact. energy: -2.577
local terms energy: -816.953639
where:
bonds (distance) C4'-P energy: -156.702
bonds (distance) P-C4' energy: -177.370
flat angles C4'-P-C4' energy: -186.112
flat angles P-C4'-P energy: -101.663
tors. eta vs tors. theta energy: -195.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -2391.920265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2391.920265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2391.920265 (E_RNA)
where:
Base-Base interactions energy: -1582.303
where: short stacking energy: -701.278
Base-Backbone interact. energy: -1.204
local terms energy: -808.412767
where:
bonds (distance) C4'-P energy: -163.974
bonds (distance) P-C4' energy: -149.783
flat angles C4'-P-C4' energy: -181.535
flat angles P-C4'-P energy: -106.525
tors. eta vs tors. theta energy: -206.596
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: 6, replica: 1
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -2186.994340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2186.994340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2186.994340 (E_RNA)
where:
Base-Base interactions energy: -1459.979
where: short stacking energy: -594.538
Base-Backbone interact. energy: 4.107
local terms energy: -731.122202
where:
bonds (distance) C4'-P energy: -148.204
bonds (distance) P-C4' energy: -158.121
flat angles C4'-P-C4' energy: -175.587
flat angles P-C4'-P energy: -89.444
tors. eta vs tors. theta energy: -159.766
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: 9
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -1717.251673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.251673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.251673 (E_RNA)
where:
Base-Base interactions energy: -1060.066
where: short stacking energy: -494.595
Base-Backbone interact. energy: -0.086
local terms energy: -657.099689
where:
bonds (distance) C4'-P energy: -143.763
bonds (distance) P-C4' energy: -133.458
flat angles C4'-P-C4' energy: -160.591
flat angles P-C4'-P energy: -113.174
tors. eta vs tors. theta energy: -106.114
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: 8
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -1322.169075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.169075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.169075 (E_RNA)
where:
Base-Base interactions energy: -749.951
where: short stacking energy: -365.958
Base-Backbone interact. energy: 4.367
local terms energy: -576.584660
where:
bonds (distance) C4'-P energy: -133.253
bonds (distance) P-C4' energy: -158.732
flat angles C4'-P-C4' energy: -145.602
flat angles P-C4'-P energy: -87.043
tors. eta vs tors. theta energy: -51.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -981.164178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.164178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.164178 (E_RNA)
where:
Base-Base interactions energy: -490.894
where: short stacking energy: -295.486
Base-Backbone interact. energy: 0.088
local terms energy: -490.357771
where:
bonds (distance) C4'-P energy: -125.607
bonds (distance) P-C4' energy: -139.406
flat angles C4'-P-C4' energy: -142.315
flat angles P-C4'-P energy: -62.338
tors. eta vs tors. theta energy: -20.692
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: 10, replica: 4
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -809.519375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.519375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.519375 (E_RNA)
where:
Base-Base interactions energy: -370.364
where: short stacking energy: -216.095
Base-Backbone interact. energy: -0.071
local terms energy: -439.084947
where:
bonds (distance) C4'-P energy: -139.265
bonds (distance) P-C4' energy: -154.119
flat angles C4'-P-C4' energy: -113.510
flat angles P-C4'-P energy: -49.966
tors. eta vs tors. theta energy: 17.774
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: 7
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -3035.518159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3035.518159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3035.518159 (E_RNA)
where:
Base-Base interactions energy: -2093.190
where: short stacking energy: -872.831
Base-Backbone interact. energy: 6.829
local terms energy: -949.157743
where:
bonds (distance) C4'-P energy: -167.877
bonds (distance) P-C4' energy: -165.302
flat angles C4'-P-C4' energy: -200.556
flat angles P-C4'-P energy: -154.326
tors. eta vs tors. theta energy: -261.095
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: 259
Temperature: 0.950000
Total energy: -2883.226278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2883.226278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2883.226278 (E_RNA)
where:
Base-Base interactions energy: -1937.174
where: short stacking energy: -837.114
Base-Backbone interact. energy: -2.859
local terms energy: -943.193439
where:
bonds (distance) C4'-P energy: -179.589
bonds (distance) P-C4' energy: -181.794
flat angles C4'-P-C4' energy: -197.293
flat angles P-C4'-P energy: -126.178
tors. eta vs tors. theta energy: -258.340
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: 3, replica: 3
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -2777.477328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2777.477328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2777.477328 (E_RNA)
where:
Base-Base interactions energy: -1949.044
where: short stacking energy: -738.554
Base-Backbone interact. energy: -6.489
local terms energy: -821.944401
where:
bonds (distance) C4'-P energy: -151.338
bonds (distance) P-C4' energy: -176.223
flat angles C4'-P-C4' energy: -172.462
flat angles P-C4'-P energy: -118.480
tors. eta vs tors. theta energy: -203.442
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: 6
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -2484.732081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2484.732081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2484.732081 (E_RNA)
where:
Base-Base interactions energy: -1682.968
where: short stacking energy: -682.226
Base-Backbone interact. energy: -1.041
local terms energy: -800.722872
where:
bonds (distance) C4'-P energy: -166.128
bonds (distance) P-C4' energy: -170.703
flat angles C4'-P-C4' energy: -182.470
flat angles P-C4'-P energy: -105.373
tors. eta vs tors. theta energy: -176.050
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: 5
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -2355.022238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2355.022238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2355.022238 (E_RNA)
where:
Base-Base interactions energy: -1558.959
where: short stacking energy: -672.178
Base-Backbone interact. energy: -1.291
local terms energy: -794.771967
where:
bonds (distance) C4'-P energy: -147.547
bonds (distance) P-C4' energy: -155.064
flat angles C4'-P-C4' energy: -176.614
flat angles P-C4'-P energy: -121.864
tors. eta vs tors. theta energy: -193.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -2165.225079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.225079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.225079 (E_RNA)
where:
Base-Base interactions energy: -1393.791
where: short stacking energy: -605.036
Base-Backbone interact. energy: -1.377
local terms energy: -770.057594
where:
bonds (distance) C4'-P energy: -163.220
bonds (distance) P-C4' energy: -156.463
flat angles C4'-P-C4' energy: -169.522
flat angles P-C4'-P energy: -110.943
tors. eta vs tors. theta energy: -169.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -1668.316771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.316771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.316771 (E_RNA)
where:
Base-Base interactions energy: -1061.602
where: short stacking energy: -499.317
Base-Backbone interact. energy: -2.027
local terms energy: -604.688417
where:
bonds (distance) C4'-P energy: -128.060
bonds (distance) P-C4' energy: -149.047
flat angles C4'-P-C4' energy: -147.944
flat angles P-C4'-P energy: -83.421
tors. eta vs tors. theta energy: -96.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -1384.438501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.438501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.438501 (E_RNA)
where:
Base-Base interactions energy: -774.617
where: short stacking energy: -357.026
Base-Backbone interact. energy: -1.282
local terms energy: -608.538940
where:
bonds (distance) C4'-P energy: -167.139
bonds (distance) P-C4' energy: -173.262
flat angles C4'-P-C4' energy: -148.673
flat angles P-C4'-P energy: -69.546
tors. eta vs tors. theta energy: -49.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -961.678021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.678021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.678021 (E_RNA)
where:
Base-Base interactions energy: -445.576
where: short stacking energy: -258.405
Base-Backbone interact. energy: 7.970
local terms energy: -524.072429
where:
bonds (distance) C4'-P energy: -149.329
bonds (distance) P-C4' energy: -152.246
flat angles C4'-P-C4' energy: -132.806
flat angles P-C4'-P energy: -88.277
tors. eta vs tors. theta energy: -1.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -790.283707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.283707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.283707 (E_RNA)
where:
Base-Base interactions energy: -348.514
where: short stacking energy: -197.299
Base-Backbone interact. energy: 2.316
local terms energy: -444.085838
where:
bonds (distance) C4'-P energy: -142.335
bonds (distance) P-C4' energy: -154.874
flat angles C4'-P-C4' energy: -119.649
flat angles P-C4'-P energy: -59.541
tors. eta vs tors. theta energy: 32.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -3044.774486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3044.774486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3044.774486 (E_RNA)
where:
Base-Base interactions energy: -2109.332
where: short stacking energy: -875.344
Base-Backbone interact. energy: -1.854
local terms energy: -933.588217
where:
bonds (distance) C4'-P energy: -170.288
bonds (distance) P-C4' energy: -187.284
flat angles C4'-P-C4' energy: -202.845
flat angles P-C4'-P energy: -127.254
tors. eta vs tors. theta energy: -245.917
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: 10
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -2919.559997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2919.559997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2919.559997 (E_RNA)
where:
Base-Base interactions energy: -2029.882
where: short stacking energy: -859.193
Base-Backbone interact. energy: -4.721
local terms energy: -884.956472
where:
bonds (distance) C4'-P energy: -151.359
bonds (distance) P-C4' energy: -159.367
flat angles C4'-P-C4' energy: -192.022
flat angles P-C4'-P energy: -119.434
tors. eta vs tors. theta energy: -262.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -2764.998305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2764.998305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2764.998305 (E_RNA)
where:
Base-Base interactions energy: -1915.141
where: short stacking energy: -755.439
Base-Backbone interact. energy: -5.165
local terms energy: -844.692459
where:
bonds (distance) C4'-P energy: -147.335
bonds (distance) P-C4' energy: -166.754
flat angles C4'-P-C4' energy: -196.432
flat angles P-C4'-P energy: -123.430
tors. eta vs tors. theta energy: -210.743
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: 6
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -2547.306275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2547.306275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2547.306275 (E_RNA)
where:
Base-Base interactions energy: -1735.140
where: short stacking energy: -724.049
Base-Backbone interact. energy: -0.471
local terms energy: -811.694580
where:
bonds (distance) C4'-P energy: -142.286
bonds (distance) P-C4' energy: -158.720
flat angles C4'-P-C4' energy: -185.093
flat angles P-C4'-P energy: -130.081
tors. eta vs tors. theta energy: -195.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -2382.296338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2382.296338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2382.296338 (E_RNA)
where:
Base-Base interactions energy: -1607.247
where: short stacking energy: -705.205
Base-Backbone interact. energy: -1.633
local terms energy: -773.416853
where:
bonds (distance) C4'-P energy: -133.394
bonds (distance) P-C4' energy: -174.756
flat angles C4'-P-C4' energy: -154.015
flat angles P-C4'-P energy: -107.139
tors. eta vs tors. theta energy: -204.113
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: 6, replica: 1
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -2213.116645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2213.116645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2213.116645 (E_RNA)
where:
Base-Base interactions energy: -1511.136
where: short stacking energy: -647.254
Base-Backbone interact. energy: -0.068
local terms energy: -701.912962
where:
bonds (distance) C4'-P energy: -143.119
bonds (distance) P-C4' energy: -147.911
flat angles C4'-P-C4' energy: -164.665
flat angles P-C4'-P energy: -77.863
tors. eta vs tors. theta energy: -168.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -1620.555354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.555354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.555354 (E_RNA)
where:
Base-Base interactions energy: -998.743
where: short stacking energy: -465.073
Base-Backbone interact. energy: -0.354
local terms energy: -621.459178
where:
bonds (distance) C4'-P energy: -149.473
bonds (distance) P-C4' energy: -172.307
flat angles C4'-P-C4' energy: -132.029
flat angles P-C4'-P energy: -81.883
tors. eta vs tors. theta energy: -85.767
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: 8
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -1336.796818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.796818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.796818 (E_RNA)
where:
Base-Base interactions energy: -784.960
where: short stacking energy: -369.869
Base-Backbone interact. energy: 0.197
local terms energy: -552.034400
where:
bonds (distance) C4'-P energy: -133.056
bonds (distance) P-C4' energy: -145.581
flat angles C4'-P-C4' energy: -155.706
flat angles P-C4'-P energy: -77.024
tors. eta vs tors. theta energy: -40.667
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: 260
Temperature: 1.300000
Total energy: -938.043300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.043300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.043300 (E_RNA)
where:
Base-Base interactions energy: -422.674
where: short stacking energy: -274.886
Base-Backbone interact. energy: -0.489
local terms energy: -514.879459
where:
bonds (distance) C4'-P energy: -116.488
bonds (distance) P-C4' energy: -166.032
flat angles C4'-P-C4' energy: -129.913
flat angles P-C4'-P energy: -96.843
tors. eta vs tors. theta energy: -5.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -851.931049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.931049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.931049 (E_RNA)
where:
Base-Base interactions energy: -414.269
where: short stacking energy: -276.869
Base-Backbone interact. energy: 5.819
local terms energy: -443.480934
where:
bonds (distance) C4'-P energy: -134.139
bonds (distance) P-C4' energy: -154.112
flat angles C4'-P-C4' energy: -99.933
flat angles P-C4'-P energy: -47.296
tors. eta vs tors. theta energy: -8.001
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: 7
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -3032.383330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3032.383330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3032.383330 (E_RNA)
where:
Base-Base interactions energy: -2083.139
where: short stacking energy: -871.247
Base-Backbone interact. energy: -0.382
local terms energy: -948.862305
where:
bonds (distance) C4'-P energy: -185.299
bonds (distance) P-C4' energy: -163.523
flat angles C4'-P-C4' energy: -206.477
flat angles P-C4'-P energy: -136.600
tors. eta vs tors. theta energy: -256.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -2870.425400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2870.425400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2870.425400 (E_RNA)
where:
Base-Base interactions energy: -1971.656
where: short stacking energy: -828.652
Base-Backbone interact. energy: -7.997
local terms energy: -890.772325
where:
bonds (distance) C4'-P energy: -168.333
bonds (distance) P-C4' energy: -152.208
flat angles C4'-P-C4' energy: -192.074
flat angles P-C4'-P energy: -114.659
tors. eta vs tors. theta energy: -263.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -2725.764008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2725.764008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2725.764008 (E_RNA)
where:
Base-Base interactions energy: -1848.496
where: short stacking energy: -769.728
Base-Backbone interact. energy: 2.336
local terms energy: -879.603788
where:
bonds (distance) C4'-P energy: -174.332
bonds (distance) P-C4' energy: -178.504
flat angles C4'-P-C4' energy: -191.564
flat angles P-C4'-P energy: -108.582
tors. eta vs tors. theta energy: -226.622
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: 6
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -2536.860619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2536.860619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2536.860619 (E_RNA)
where:
Base-Base interactions energy: -1713.450
where: short stacking energy: -726.833
Base-Backbone interact. energy: -2.869
local terms energy: -820.541600
where:
bonds (distance) C4'-P energy: -144.266
bonds (distance) P-C4' energy: -170.213
flat angles C4'-P-C4' energy: -186.638
flat angles P-C4'-P energy: -106.856
tors. eta vs tors. theta energy: -212.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -2314.370474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.370474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2314.370474 (E_RNA)
where:
Base-Base interactions energy: -1577.389
where: short stacking energy: -691.927
Base-Backbone interact. energy: -1.316
local terms energy: -735.666204
where:
bonds (distance) C4'-P energy: -136.373
bonds (distance) P-C4' energy: -148.337
flat angles C4'-P-C4' energy: -150.458
flat angles P-C4'-P energy: -108.999
tors. eta vs tors. theta energy: -191.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -2200.359177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2200.359177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2200.359177 (E_RNA)
where:
Base-Base interactions energy: -1441.299
where: short stacking energy: -604.828
Base-Backbone interact. energy: -2.123
local terms energy: -756.937523
where:
bonds (distance) C4'-P energy: -154.781
bonds (distance) P-C4' energy: -164.361
flat angles C4'-P-C4' energy: -162.402
flat angles P-C4'-P energy: -110.792
tors. eta vs tors. theta energy: -164.602
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: 9
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -1597.056699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.056699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.056699 (E_RNA)
where:
Base-Base interactions energy: -948.126
where: short stacking energy: -455.641
Base-Backbone interact. energy: -2.593
local terms energy: -646.337513
where:
bonds (distance) C4'-P energy: -138.701
bonds (distance) P-C4' energy: -160.941
flat angles C4'-P-C4' energy: -152.122
flat angles P-C4'-P energy: -97.740
tors. eta vs tors. theta energy: -96.834
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: 8
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -1341.277531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.277531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.277531 (E_RNA)
where:
Base-Base interactions energy: -757.168
where: short stacking energy: -390.800
Base-Backbone interact. energy: 0.786
local terms energy: -584.895658
where:
bonds (distance) C4'-P energy: -169.155
bonds (distance) P-C4' energy: -141.434
flat angles C4'-P-C4' energy: -131.327
flat angles P-C4'-P energy: -81.987
tors. eta vs tors. theta energy: -60.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -937.380773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.380773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.380773 (E_RNA)
where:
Base-Base interactions energy: -421.204
where: short stacking energy: -250.763
Base-Backbone interact. energy: -4.507
local terms energy: -511.669864
where:
bonds (distance) C4'-P energy: -137.477
bonds (distance) P-C4' energy: -152.994
flat angles C4'-P-C4' energy: -145.309
flat angles P-C4'-P energy: -84.309
tors. eta vs tors. theta energy: 8.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -869.132013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.132013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.132013 (E_RNA)
where:
Base-Base interactions energy: -422.737
where: short stacking energy: -243.371
Base-Backbone interact. energy: 3.258
local terms energy: -449.653276
where:
bonds (distance) C4'-P energy: -101.753
bonds (distance) P-C4' energy: -145.109
flat angles C4'-P-C4' energy: -143.851
flat angles P-C4'-P energy: -72.977
tors. eta vs tors. theta energy: 14.037
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: 1, replica: 7
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -2997.210987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2997.210987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2997.210987 (E_RNA)
where:
Base-Base interactions energy: -2069.279
where: short stacking energy: -859.930
Base-Backbone interact. energy: -1.642
local terms energy: -926.289628
where:
bonds (distance) C4'-P energy: -172.599
bonds (distance) P-C4' energy: -181.643
flat angles C4'-P-C4' energy: -197.284
flat angles P-C4'-P energy: -128.960
tors. eta vs tors. theta energy: -245.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -2860.552919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2860.552919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2860.552919 (E_RNA)
where:
Base-Base interactions energy: -1935.866
where: short stacking energy: -824.490
Base-Backbone interact. energy: 0.777
local terms energy: -925.464301
where:
bonds (distance) C4'-P energy: -170.861
bonds (distance) P-C4' energy: -177.440
flat angles C4'-P-C4' energy: -192.687
flat angles P-C4'-P energy: -128.514
tors. eta vs tors. theta energy: -255.962
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: 3, replica: 3
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -2737.094904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2737.094904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2737.094904 (E_RNA)
where:
Base-Base interactions energy: -1860.378
where: short stacking energy: -767.323
Base-Backbone interact. energy: -4.472
local terms energy: -872.244743
where:
bonds (distance) C4'-P energy: -172.150
bonds (distance) P-C4' energy: -174.242
flat angles C4'-P-C4' energy: -191.847
flat angles P-C4'-P energy: -109.653
tors. eta vs tors. theta energy: -224.352
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: 6
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -2520.194898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2520.194898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2520.194898 (E_RNA)
where:
Base-Base interactions energy: -1720.711
where: short stacking energy: -711.622
Base-Backbone interact. energy: -1.164
local terms energy: -798.319771
where:
bonds (distance) C4'-P energy: -144.588
bonds (distance) P-C4' energy: -168.900
flat angles C4'-P-C4' energy: -159.954
flat angles P-C4'-P energy: -117.445
tors. eta vs tors. theta energy: -207.433
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: 5
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -2315.353909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2315.353909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2315.353909 (E_RNA)
where:
Base-Base interactions energy: -1525.361
where: short stacking energy: -679.062
Base-Backbone interact. energy: 3.719
local terms energy: -793.711976
where:
bonds (distance) C4'-P energy: -154.130
bonds (distance) P-C4' energy: -166.039
flat angles C4'-P-C4' energy: -178.396
flat angles P-C4'-P energy: -110.274
tors. eta vs tors. theta energy: -184.873
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: 6, replica: 1
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -2207.820339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.820339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.820339 (E_RNA)
where:
Base-Base interactions energy: -1484.489
where: short stacking energy: -619.732
Base-Backbone interact. energy: 0.187
local terms energy: -723.518244
where:
bonds (distance) C4'-P energy: -133.920
bonds (distance) P-C4' energy: -154.885
flat angles C4'-P-C4' energy: -158.532
flat angles P-C4'-P energy: -110.587
tors. eta vs tors. theta energy: -165.594
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: 7, replica: 9
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -1585.945893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.945893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.945893 (E_RNA)
where:
Base-Base interactions energy: -948.463
where: short stacking energy: -442.481
Base-Backbone interact. energy: -3.069
local terms energy: -634.413594
where:
bonds (distance) C4'-P energy: -149.590
bonds (distance) P-C4' energy: -149.117
flat angles C4'-P-C4' energy: -165.442
flat angles P-C4'-P energy: -91.478
tors. eta vs tors. theta energy: -78.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -1286.375527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.375527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.375527 (E_RNA)
where:
Base-Base interactions energy: -735.299
where: short stacking energy: -376.525
Base-Backbone interact. energy: -1.658
local terms energy: -549.419015
where:
bonds (distance) C4'-P energy: -133.944
bonds (distance) P-C4' energy: -113.803
flat angles C4'-P-C4' energy: -147.922
flat angles P-C4'-P energy: -96.403
tors. eta vs tors. theta energy: -57.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -954.462698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.462698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.462698 (E_RNA)
where:
Base-Base interactions energy: -476.238
where: short stacking energy: -282.152
Base-Backbone interact. energy: 1.161
local terms energy: -479.385515
where:
bonds (distance) C4'-P energy: -124.239
bonds (distance) P-C4' energy: -160.150
flat angles C4'-P-C4' energy: -120.710
flat angles P-C4'-P energy: -73.494
tors. eta vs tors. theta energy: -0.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -810.544426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.544426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.544426 (E_RNA)
where:
Base-Base interactions energy: -351.379
where: short stacking energy: -196.624
Base-Backbone interact. energy: -0.035
local terms energy: -459.130672
where:
bonds (distance) C4'-P energy: -137.626
bonds (distance) P-C4' energy: -147.201
flat angles C4'-P-C4' energy: -98.589
flat angles P-C4'-P energy: -90.446
tors. eta vs tors. theta energy: 14.732
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: 7
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -3027.062979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3027.062979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3027.062979 (E_RNA)
where:
Base-Base interactions energy: -2063.751
where: short stacking energy: -818.070
Base-Backbone interact. energy: -0.655
local terms energy: -962.656659
where:
bonds (distance) C4'-P energy: -198.962
bonds (distance) P-C4' energy: -199.732
flat angles C4'-P-C4' energy: -198.201
flat angles P-C4'-P energy: -119.790
tors. eta vs tors. theta energy: -245.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -2867.036191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2867.036191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2867.036191 (E_RNA)
where:
Base-Base interactions energy: -1953.557
where: short stacking energy: -818.949
Base-Backbone interact. energy: -8.079
local terms energy: -905.400272
where:
bonds (distance) C4'-P energy: -179.161
bonds (distance) P-C4' energy: -168.984
flat angles C4'-P-C4' energy: -189.957
flat angles P-C4'-P energy: -133.523
tors. eta vs tors. theta energy: -233.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -2771.323507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2771.323507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2771.323507 (E_RNA)
where:
Base-Base interactions energy: -1902.307
where: short stacking energy: -778.054
Base-Backbone interact. energy: 2.631
local terms energy: -871.647569
where:
bonds (distance) C4'-P energy: -170.432
bonds (distance) P-C4' energy: -176.456
flat angles C4'-P-C4' energy: -184.921
flat angles P-C4'-P energy: -115.250
tors. eta vs tors. theta energy: -224.588
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: 6
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -2552.651504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2552.651504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2552.651504 (E_RNA)
where:
Base-Base interactions energy: -1742.734
where: short stacking energy: -740.502
Base-Backbone interact. energy: -2.023
local terms energy: -807.894550
where:
bonds (distance) C4'-P energy: -162.544
bonds (distance) P-C4' energy: -157.692
flat angles C4'-P-C4' energy: -179.843
flat angles P-C4'-P energy: -106.793
tors. eta vs tors. theta energy: -201.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -2313.950112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2313.950112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.950112 (E_RNA)
where:
Base-Base interactions energy: -1537.251
where: short stacking energy: -691.133
Base-Backbone interact. energy: -1.763
local terms energy: -774.936286
where:
bonds (distance) C4'-P energy: -151.282
bonds (distance) P-C4' energy: -156.571
flat angles C4'-P-C4' energy: -180.539
flat angles P-C4'-P energy: -102.846
tors. eta vs tors. theta energy: -183.698
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: 1
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -2162.131573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.131573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2162.131573 (E_RNA)
where:
Base-Base interactions energy: -1441.289
where: short stacking energy: -623.346
Base-Backbone interact. energy: 0.652
local terms energy: -721.494421
where:
bonds (distance) C4'-P energy: -152.847
bonds (distance) P-C4' energy: -155.079
flat angles C4'-P-C4' energy: -160.088
flat angles P-C4'-P energy: -97.849
tors. eta vs tors. theta energy: -155.631
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: 9
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -1599.326726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.326726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.326726 (E_RNA)
where:
Base-Base interactions energy: -1002.331
where: short stacking energy: -433.194
Base-Backbone interact. energy: 4.764
local terms energy: -601.760177
where:
bonds (distance) C4'-P energy: -144.660
bonds (distance) P-C4' energy: -151.115
flat angles C4'-P-C4' energy: -148.312
flat angles P-C4'-P energy: -89.582
tors. eta vs tors. theta energy: -68.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -1200.761970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.761970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.761970 (E_RNA)
where:
Base-Base interactions energy: -642.966
where: short stacking energy: -346.644
Base-Backbone interact. energy: 1.289
local terms energy: -559.084946
where:
bonds (distance) C4'-P energy: -156.739
bonds (distance) P-C4' energy: -155.260
flat angles C4'-P-C4' energy: -122.340
flat angles P-C4'-P energy: -86.589
tors. eta vs tors. theta energy: -38.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -916.702840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.702840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.702840 (E_RNA)
where:
Base-Base interactions energy: -443.798
where: short stacking energy: -266.280
Base-Backbone interact. energy: -3.584
local terms energy: -469.320752
where:
bonds (distance) C4'-P energy: -118.721
bonds (distance) P-C4' energy: -147.625
flat angles C4'-P-C4' energy: -126.277
flat angles P-C4'-P energy: -63.623
tors. eta vs tors. theta energy: -13.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -827.416995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.416995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.416995 (E_RNA)
where:
Base-Base interactions energy: -399.454
where: short stacking energy: -238.150
Base-Backbone interact. energy: 7.616
local terms energy: -435.578381
where:
bonds (distance) C4'-P energy: -124.884
bonds (distance) P-C4' energy: -156.457
flat angles C4'-P-C4' energy: -118.701
flat angles P-C4'-P energy: -64.082
tors. eta vs tors. theta energy: 28.545
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: 264
Temperature: 0.900000
Total energy: -3019.755153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3019.755153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3019.755153 (E_RNA)
where:
Base-Base interactions energy: -2090.781
where: short stacking energy: -856.342
Base-Backbone interact. energy: -1.223
local terms energy: -927.751607
where:
bonds (distance) C4'-P energy: -177.009
bonds (distance) P-C4' energy: -181.780
flat angles C4'-P-C4' energy: -192.029
flat angles P-C4'-P energy: -130.682
tors. eta vs tors. theta energy: -246.252
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: 10
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -2846.853665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2846.853665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2846.853665 (E_RNA)
where:
Base-Base interactions energy: -1921.519
where: short stacking energy: -833.041
Base-Backbone interact. energy: -4.417
local terms energy: -920.918042
where:
bonds (distance) C4'-P energy: -168.723
bonds (distance) P-C4' energy: -156.200
flat angles C4'-P-C4' energy: -197.456
flat angles P-C4'-P energy: -137.615
tors. eta vs tors. theta energy: -260.923
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: 3, replica: 3
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -2720.022562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2720.022562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2720.022562 (E_RNA)
where:
Base-Base interactions energy: -1885.358
where: short stacking energy: -798.540
Base-Backbone interact. energy: -5.559
local terms energy: -829.105794
where:
bonds (distance) C4'-P energy: -150.879
bonds (distance) P-C4' energy: -166.945
flat angles C4'-P-C4' energy: -188.107
flat angles P-C4'-P energy: -106.751
tors. eta vs tors. theta energy: -216.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -2545.806583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2545.806583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2545.806583 (E_RNA)
where:
Base-Base interactions energy: -1714.691
where: short stacking energy: -729.273
Base-Backbone interact. energy: -4.751
local terms energy: -826.365117
where:
bonds (distance) C4'-P energy: -178.826
bonds (distance) P-C4' energy: -163.005
flat angles C4'-P-C4' energy: -164.552
flat angles P-C4'-P energy: -118.509
tors. eta vs tors. theta energy: -201.473
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: 5
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -2303.330911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2303.330911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.330911 (E_RNA)
where:
Base-Base interactions energy: -1516.533
where: short stacking energy: -662.014
Base-Backbone interact. energy: -2.807
local terms energy: -783.990954
where:
bonds (distance) C4'-P energy: -164.230
bonds (distance) P-C4' energy: -146.066
flat angles C4'-P-C4' energy: -170.304
flat angles P-C4'-P energy: -121.827
tors. eta vs tors. theta energy: -181.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -2182.015987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.015987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.015987 (E_RNA)
where:
Base-Base interactions energy: -1411.094
where: short stacking energy: -617.542
Base-Backbone interact. energy: -1.267
local terms energy: -769.655027
where:
bonds (distance) C4'-P energy: -155.057
bonds (distance) P-C4' energy: -158.844
flat angles C4'-P-C4' energy: -161.820
flat angles P-C4'-P energy: -113.214
tors. eta vs tors. theta energy: -180.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -1687.906987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.906987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.906987 (E_RNA)
where:
Base-Base interactions energy: -1065.701
where: short stacking energy: -478.456
Base-Backbone interact. energy: -1.408
local terms energy: -620.798799
where:
bonds (distance) C4'-P energy: -144.947
bonds (distance) P-C4' energy: -146.634
flat angles C4'-P-C4' energy: -164.648
flat angles P-C4'-P energy: -78.381
tors. eta vs tors. theta energy: -86.189
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: 8
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -1211.155722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.155722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.155722 (E_RNA)
where:
Base-Base interactions energy: -653.990
where: short stacking energy: -346.644
Base-Backbone interact. energy: 0.807
local terms energy: -557.972224
where:
bonds (distance) C4'-P energy: -148.975
bonds (distance) P-C4' energy: -142.386
flat angles C4'-P-C4' energy: -123.458
flat angles P-C4'-P energy: -97.526
tors. eta vs tors. theta energy: -45.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -899.783270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.783270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.783270 (E_RNA)
where:
Base-Base interactions energy: -436.800
where: short stacking energy: -248.792
Base-Backbone interact. energy: 0.908
local terms energy: -463.891292
where:
bonds (distance) C4'-P energy: -146.020
bonds (distance) P-C4' energy: -169.246
flat angles C4'-P-C4' energy: -113.035
flat angles P-C4'-P energy: -62.395
tors. eta vs tors. theta energy: 26.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -894.521494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.521494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.521494 (E_RNA)
where:
Base-Base interactions energy: -438.410
where: short stacking energy: -247.142
Base-Backbone interact. energy: 0.127
local terms energy: -456.239124
where:
bonds (distance) C4'-P energy: -130.122
bonds (distance) P-C4' energy: -148.070
flat angles C4'-P-C4' energy: -111.275
flat angles P-C4'-P energy: -89.152
tors. eta vs tors. theta energy: 22.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -3045.320754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3045.320754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3045.320754 (E_RNA)
where:
Base-Base interactions energy: -2113.300
where: short stacking energy: -883.200
Base-Backbone interact. energy: -0.411
local terms energy: -931.610247
where:
bonds (distance) C4'-P energy: -156.775
bonds (distance) P-C4' energy: -170.077
flat angles C4'-P-C4' energy: -203.101
flat angles P-C4'-P energy: -143.855
tors. eta vs tors. theta energy: -257.802
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: 10
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -2857.942438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2857.942438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2857.942438 (E_RNA)
where:
Base-Base interactions energy: -1907.354
where: short stacking energy: -835.100
Base-Backbone interact. energy: 0.071
local terms energy: -950.658881
where:
bonds (distance) C4'-P energy: -183.559
bonds (distance) P-C4' energy: -180.938
flat angles C4'-P-C4' energy: -203.662
flat angles P-C4'-P energy: -125.824
tors. eta vs tors. theta energy: -256.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -2760.448496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2760.448496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2760.448496 (E_RNA)
where:
Base-Base interactions energy: -1905.216
where: short stacking energy: -783.409
Base-Backbone interact. energy: -2.949
local terms energy: -852.283495
where:
bonds (distance) C4'-P energy: -167.713
bonds (distance) P-C4' energy: -177.364
flat angles C4'-P-C4' energy: -178.710
flat angles P-C4'-P energy: -113.090
tors. eta vs tors. theta energy: -215.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -2568.645588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2568.645588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2568.645588 (E_RNA)
where:
Base-Base interactions energy: -1705.550
where: short stacking energy: -736.676
Base-Backbone interact. energy: -3.901
local terms energy: -859.194586
where:
bonds (distance) C4'-P energy: -181.918
bonds (distance) P-C4' energy: -167.074
flat angles C4'-P-C4' energy: -163.442
flat angles P-C4'-P energy: -123.080
tors. eta vs tors. theta energy: -223.681
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: 5
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -2337.282413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2337.282413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2337.282413 (E_RNA)
where:
Base-Base interactions energy: -1507.822
where: short stacking energy: -668.378
Base-Backbone interact. energy: -4.711
local terms energy: -824.749642
where:
bonds (distance) C4'-P energy: -177.467
bonds (distance) P-C4' energy: -155.507
flat angles C4'-P-C4' energy: -190.633
flat angles P-C4'-P energy: -105.393
tors. eta vs tors. theta energy: -195.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -2181.647822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2181.647822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2181.647822 (E_RNA)
where:
Base-Base interactions energy: -1449.380
where: short stacking energy: -626.975
Base-Backbone interact. energy: -3.080
local terms energy: -729.187504
where:
bonds (distance) C4'-P energy: -141.470
bonds (distance) P-C4' energy: -147.510
flat angles C4'-P-C4' energy: -151.797
flat angles P-C4'-P energy: -112.252
tors. eta vs tors. theta energy: -176.158
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: 9
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -1691.892003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.892003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.892003 (E_RNA)
where:
Base-Base interactions energy: -1062.639
where: short stacking energy: -491.629
Base-Backbone interact. energy: 5.218
local terms energy: -634.470718
where:
bonds (distance) C4'-P energy: -124.531
bonds (distance) P-C4' energy: -154.096
flat angles C4'-P-C4' energy: -160.656
flat angles P-C4'-P energy: -88.440
tors. eta vs tors. theta energy: -106.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -1186.609221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.609221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.609221 (E_RNA)
where:
Base-Base interactions energy: -656.249
where: short stacking energy: -340.952
Base-Backbone interact. energy: 0.416
local terms energy: -530.776177
where:
bonds (distance) C4'-P energy: -161.782
bonds (distance) P-C4' energy: -141.710
flat angles C4'-P-C4' energy: -125.755
flat angles P-C4'-P energy: -75.467
tors. eta vs tors. theta energy: -26.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -936.480280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.480280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.480280 (E_RNA)
where:
Base-Base interactions energy: -412.366
where: short stacking energy: -256.270
Base-Backbone interact. energy: -2.164
local terms energy: -521.949745
where:
bonds (distance) C4'-P energy: -153.196
bonds (distance) P-C4' energy: -163.680
flat angles C4'-P-C4' energy: -136.319
flat angles P-C4'-P energy: -77.529
tors. eta vs tors. theta energy: 8.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -874.879656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.879656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.879656 (E_RNA)
where:
Base-Base interactions energy: -381.744
where: short stacking energy: -224.030
Base-Backbone interact. energy: 1.950
local terms energy: -495.084912
where:
bonds (distance) C4'-P energy: -148.425
bonds (distance) P-C4' energy: -158.211
flat angles C4'-P-C4' energy: -138.649
flat angles P-C4'-P energy: -70.170
tors. eta vs tors. theta energy: 20.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -3043.628840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3043.628840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3043.628840 (E_RNA)
where:
Base-Base interactions energy: -2065.806
where: short stacking energy: -863.259
Base-Backbone interact. energy: -2.363
local terms energy: -975.460181
where:
bonds (distance) C4'-P energy: -170.809
bonds (distance) P-C4' energy: -185.010
flat angles C4'-P-C4' energy: -209.177
flat angles P-C4'-P energy: -136.026
tors. eta vs tors. theta energy: -274.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -2875.796005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2875.796005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2875.796005 (E_RNA)
where:
Base-Base interactions energy: -1977.245
where: short stacking energy: -820.879
Base-Backbone interact. energy: -3.033
local terms energy: -895.517957
where:
bonds (distance) C4'-P energy: -151.231
bonds (distance) P-C4' energy: -178.573
flat angles C4'-P-C4' energy: -188.159
flat angles P-C4'-P energy: -124.489
tors. eta vs tors. theta energy: -253.065
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: 3, replica: 3
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -2720.494543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2720.494543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2720.494543 (E_RNA)
where:
Base-Base interactions energy: -1855.997
where: short stacking energy: -760.223
Base-Backbone interact. energy: 0.773
local terms energy: -865.269966
where:
bonds (distance) C4'-P energy: -168.206
bonds (distance) P-C4' energy: -169.121
flat angles C4'-P-C4' energy: -199.254
flat angles P-C4'-P energy: -115.770
tors. eta vs tors. theta energy: -212.919
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: 4, replica: 6
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -2510.282440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2510.282440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2510.282440 (E_RNA)
where:
Base-Base interactions energy: -1691.794
where: short stacking energy: -728.896
Base-Backbone interact. energy: -0.669
local terms energy: -817.819720
where:
bonds (distance) C4'-P energy: -151.256
bonds (distance) P-C4' energy: -176.465
flat angles C4'-P-C4' energy: -194.289
flat angles P-C4'-P energy: -95.830
tors. eta vs tors. theta energy: -199.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -2306.743229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2306.743229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2306.743229 (E_RNA)
where:
Base-Base interactions energy: -1524.905
where: short stacking energy: -673.755
Base-Backbone interact. energy: -2.631
local terms energy: -779.206874
where:
bonds (distance) C4'-P energy: -154.948
bonds (distance) P-C4' energy: -162.264
flat angles C4'-P-C4' energy: -174.377
flat angles P-C4'-P energy: -97.616
tors. eta vs tors. theta energy: -190.002
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: 6, replica: 1
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -2227.665081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2227.665081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2227.665081 (E_RNA)
where:
Base-Base interactions energy: -1488.032
where: short stacking energy: -599.253
Base-Backbone interact. energy: -1.753
local terms energy: -737.879897
where:
bonds (distance) C4'-P energy: -138.606
bonds (distance) P-C4' energy: -153.114
flat angles C4'-P-C4' energy: -172.512
flat angles P-C4'-P energy: -111.377
tors. eta vs tors. theta energy: -162.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -1744.752706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.752706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.752706 (E_RNA)
where:
Base-Base interactions energy: -1085.699
where: short stacking energy: -473.118
Base-Backbone interact. energy: 4.245
local terms energy: -663.299028
where:
bonds (distance) C4'-P energy: -151.826
bonds (distance) P-C4' energy: -156.045
flat angles C4'-P-C4' energy: -166.135
flat angles P-C4'-P energy: -87.154
tors. eta vs tors. theta energy: -102.138
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: 8, replica: 8
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -1226.294142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.294142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.294142 (E_RNA)
where:
Base-Base interactions energy: -660.132
where: short stacking energy: -350.486
Base-Backbone interact. energy: -4.782
local terms energy: -561.380070
where:
bonds (distance) C4'-P energy: -157.282
bonds (distance) P-C4' energy: -151.234
flat angles C4'-P-C4' energy: -139.130
flat angles P-C4'-P energy: -71.815
tors. eta vs tors. theta energy: -41.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -969.506319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.506319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.506319 (E_RNA)
where:
Base-Base interactions energy: -466.643
where: short stacking energy: -277.950
Base-Backbone interact. energy: -0.872
local terms energy: -501.991347
where:
bonds (distance) C4'-P energy: -138.420
bonds (distance) P-C4' energy: -153.022
flat angles C4'-P-C4' energy: -118.593
flat angles P-C4'-P energy: -84.855
tors. eta vs tors. theta energy: -7.101
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: 10, replica: 4
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -877.706393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.706393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.706393 (E_RNA)
where:
Base-Base interactions energy: -428.565
where: short stacking energy: -259.460
Base-Backbone interact. energy: -1.631
local terms energy: -447.510037
where:
bonds (distance) C4'-P energy: -116.702
bonds (distance) P-C4' energy: -132.868
flat angles C4'-P-C4' energy: -123.343
flat angles P-C4'-P energy: -83.220
tors. eta vs tors. theta energy: 8.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -3028.355900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3028.355900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3028.355900 (E_RNA)
where:
Base-Base interactions energy: -2045.798
where: short stacking energy: -832.327
Base-Backbone interact. energy: -1.726
local terms energy: -980.831846
where:
bonds (distance) C4'-P energy: -198.833
bonds (distance) P-C4' energy: -182.827
flat angles C4'-P-C4' energy: -196.167
flat angles P-C4'-P energy: -143.136
tors. eta vs tors. theta energy: -259.868
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: 267
Temperature: 0.950000
Total energy: -2920.132424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2920.132424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2920.132424 (E_RNA)
where:
Base-Base interactions energy: -1997.737
where: short stacking energy: -847.423
Base-Backbone interact. energy: -4.623
local terms energy: -917.772456
where:
bonds (distance) C4'-P energy: -154.541
bonds (distance) P-C4' energy: -177.307
flat angles C4'-P-C4' energy: -206.549
flat angles P-C4'-P energy: -123.927
tors. eta vs tors. theta energy: -255.449
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: 3
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -2750.564461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2750.564461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2750.564461 (E_RNA)
where:
Base-Base interactions energy: -1903.201
where: short stacking energy: -766.312
Base-Backbone interact. energy: -1.849
local terms energy: -845.514985
where:
bonds (distance) C4'-P energy: -148.991
bonds (distance) P-C4' energy: -169.694
flat angles C4'-P-C4' energy: -188.212
flat angles P-C4'-P energy: -124.300
tors. eta vs tors. theta energy: -214.318
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: 267
Temperature: 1.050000
Total energy: -2575.351473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2575.351473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2575.351473 (E_RNA)
where:
Base-Base interactions energy: -1742.829
where: short stacking energy: -718.434
Base-Backbone interact. energy: -1.781
local terms energy: -830.741879
where:
bonds (distance) C4'-P energy: -159.360
bonds (distance) P-C4' energy: -165.680
flat angles C4'-P-C4' energy: -174.761
flat angles P-C4'-P energy: -123.295
tors. eta vs tors. theta energy: -207.646
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: 5, replica: 5
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -2345.770875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2345.770875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2345.770875 (E_RNA)
where:
Base-Base interactions energy: -1551.467
where: short stacking energy: -666.756
Base-Backbone interact. energy: -2.344
local terms energy: -791.959944
where:
bonds (distance) C4'-P energy: -166.056
bonds (distance) P-C4' energy: -154.888
flat angles C4'-P-C4' energy: -169.511
flat angles P-C4'-P energy: -105.006
tors. eta vs tors. theta energy: -196.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -2269.174678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2269.174678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.174678 (E_RNA)
where:
Base-Base interactions energy: -1495.674
where: short stacking energy: -637.951
Base-Backbone interact. energy: -1.157
local terms energy: -772.343960
where:
bonds (distance) C4'-P energy: -150.284
bonds (distance) P-C4' energy: -164.583
flat angles C4'-P-C4' energy: -173.819
flat angles P-C4'-P energy: -112.258
tors. eta vs tors. theta energy: -171.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -1680.574145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.574145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.574145 (E_RNA)
where:
Base-Base interactions energy: -1062.184
where: short stacking energy: -483.183
Base-Backbone interact. energy: 0.506
local terms energy: -618.896185
where:
bonds (distance) C4'-P energy: -131.362
bonds (distance) P-C4' energy: -146.534
flat angles C4'-P-C4' energy: -137.359
flat angles P-C4'-P energy: -101.049
tors. eta vs tors. theta energy: -102.592
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: 8, replica: 8
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -1202.627658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.627658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.627658 (E_RNA)
where:
Base-Base interactions energy: -635.013
where: short stacking energy: -334.391
Base-Backbone interact. energy: -0.157
local terms energy: -567.457567
where:
bonds (distance) C4'-P energy: -133.053
bonds (distance) P-C4' energy: -162.305
flat angles C4'-P-C4' energy: -133.041
flat angles P-C4'-P energy: -98.491
tors. eta vs tors. theta energy: -40.568
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: 2
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -915.843325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.843325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.843325 (E_RNA)
where:
Base-Base interactions energy: -463.631
where: short stacking energy: -241.828
Base-Backbone interact. energy: -0.593
local terms energy: -451.619883
where:
bonds (distance) C4'-P energy: -128.939
bonds (distance) P-C4' energy: -140.159
flat angles C4'-P-C4' energy: -130.478
flat angles P-C4'-P energy: -63.641
tors. eta vs tors. theta energy: 11.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -877.451083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.451083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.451083 (E_RNA)
where:
Base-Base interactions energy: -406.381
where: short stacking energy: -244.129
Base-Backbone interact. energy: 8.524
local terms energy: -479.594091
where:
bonds (distance) C4'-P energy: -140.600
bonds (distance) P-C4' energy: -138.275
flat angles C4'-P-C4' energy: -133.251
flat angles P-C4'-P energy: -83.953
tors. eta vs tors. theta energy: 16.484
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: 7
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -3050.006463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3050.006463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3050.006463 (E_RNA)
where:
Base-Base interactions energy: -2085.467
where: short stacking energy: -854.409
Base-Backbone interact. energy: 3.907
local terms energy: -968.446519
where:
bonds (distance) C4'-P energy: -187.945
bonds (distance) P-C4' energy: -185.685
flat angles C4'-P-C4' energy: -185.956
flat angles P-C4'-P energy: -144.530
tors. eta vs tors. theta energy: -264.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -2935.474579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2935.474579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2935.474579 (E_RNA)
where:
Base-Base interactions energy: -1997.560
where: short stacking energy: -828.657
Base-Backbone interact. energy: -3.947
local terms energy: -933.968075
where:
bonds (distance) C4'-P energy: -174.665
bonds (distance) P-C4' energy: -179.162
flat angles C4'-P-C4' energy: -191.607
flat angles P-C4'-P energy: -122.181
tors. eta vs tors. theta energy: -266.352
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: 3, replica: 3
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -2800.716005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2800.716005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2800.716005 (E_RNA)
where:
Base-Base interactions energy: -1925.501
where: short stacking energy: -779.894
Base-Backbone interact. energy: -0.618
local terms energy: -874.597688
where:
bonds (distance) C4'-P energy: -168.002
bonds (distance) P-C4' energy: -163.478
flat angles C4'-P-C4' energy: -189.329
flat angles P-C4'-P energy: -118.483
tors. eta vs tors. theta energy: -235.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -2656.370591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2656.370591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2656.370591 (E_RNA)
where:
Base-Base interactions energy: -1774.254
where: short stacking energy: -748.322
Base-Backbone interact. energy: 3.726
local terms energy: -885.842905
where:
bonds (distance) C4'-P energy: -167.928
bonds (distance) P-C4' energy: -184.207
flat angles C4'-P-C4' energy: -185.158
flat angles P-C4'-P energy: -122.163
tors. eta vs tors. theta energy: -226.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -2310.160959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2310.160959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.160959 (E_RNA)
where:
Base-Base interactions energy: -1545.426
where: short stacking energy: -645.813
Base-Backbone interact. energy: 3.343
local terms energy: -768.077937
where:
bonds (distance) C4'-P energy: -150.484
bonds (distance) P-C4' energy: -157.743
flat angles C4'-P-C4' energy: -177.538
flat angles P-C4'-P energy: -106.891
tors. eta vs tors. theta energy: -175.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -2193.738993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.738993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.738993 (E_RNA)
where:
Base-Base interactions energy: -1390.079
where: short stacking energy: -628.009
Base-Backbone interact. energy: 0.279
local terms energy: -803.939064
where:
bonds (distance) C4'-P energy: -156.859
bonds (distance) P-C4' energy: -171.679
flat angles C4'-P-C4' energy: -182.065
flat angles P-C4'-P energy: -114.456
tors. eta vs tors. theta energy: -178.880
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: 7, replica: 9
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -1710.046361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.046361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.046361 (E_RNA)
where:
Base-Base interactions energy: -1105.395
where: short stacking energy: -530.132
Base-Backbone interact. energy: 1.866
local terms energy: -606.517303
where:
bonds (distance) C4'-P energy: -122.226
bonds (distance) P-C4' energy: -153.911
flat angles C4'-P-C4' energy: -149.935
flat angles P-C4'-P energy: -71.264
tors. eta vs tors. theta energy: -109.182
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: 8, replica: 8
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -1232.188140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.188140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.188140 (E_RNA)
where:
Base-Base interactions energy: -654.534
where: short stacking energy: -337.525
Base-Backbone interact. energy: 2.095
local terms energy: -579.749344
where:
bonds (distance) C4'-P energy: -147.250
bonds (distance) P-C4' energy: -148.342
flat angles C4'-P-C4' energy: -150.681
flat angles P-C4'-P energy: -95.378
tors. eta vs tors. theta energy: -38.098
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: 9, replica: 4
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -979.582680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.582680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.582680 (E_RNA)
where:
Base-Base interactions energy: -459.029
where: short stacking energy: -246.647
Base-Backbone interact. energy: -4.169
local terms energy: -516.385427
where:
bonds (distance) C4'-P energy: -162.042
bonds (distance) P-C4' energy: -144.653
flat angles C4'-P-C4' energy: -117.620
flat angles P-C4'-P energy: -84.939
tors. eta vs tors. theta energy: -7.132
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: 2
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -886.837830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.837830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.837830 (E_RNA)
where:
Base-Base interactions energy: -412.153
where: short stacking energy: -223.870
Base-Backbone interact. energy: 1.020
local terms energy: -475.705115
where:
bonds (distance) C4'-P energy: -140.611
bonds (distance) P-C4' energy: -137.942
flat angles C4'-P-C4' energy: -138.123
flat angles P-C4'-P energy: -85.153
tors. eta vs tors. theta energy: 26.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -3052.201022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3052.201022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3052.201022 (E_RNA)
where:
Base-Base interactions energy: -2096.319
where: short stacking energy: -854.311
Base-Backbone interact. energy: -2.582
local terms energy: -953.300484
where:
bonds (distance) C4'-P energy: -180.935
bonds (distance) P-C4' energy: -166.303
flat angles C4'-P-C4' energy: -200.511
flat angles P-C4'-P energy: -138.705
tors. eta vs tors. theta energy: -266.846
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: 10
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -2941.275124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2941.275124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2941.275124 (E_RNA)
where:
Base-Base interactions energy: -2013.607
where: short stacking energy: -860.241
Base-Backbone interact. energy: -5.237
local terms energy: -922.430784
where:
bonds (distance) C4'-P energy: -163.607
bonds (distance) P-C4' energy: -168.989
flat angles C4'-P-C4' energy: -203.007
flat angles P-C4'-P energy: -124.139
tors. eta vs tors. theta energy: -262.689
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: 3
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -2736.370012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2736.370012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2736.370012 (E_RNA)
where:
Base-Base interactions energy: -1852.966
where: short stacking energy: -777.822
Base-Backbone interact. energy: 0.447
local terms energy: -883.850173
where:
bonds (distance) C4'-P energy: -149.007
bonds (distance) P-C4' energy: -166.764
flat angles C4'-P-C4' energy: -195.371
flat angles P-C4'-P energy: -131.284
tors. eta vs tors. theta energy: -241.425
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: 4, replica: 6
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -2631.853476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2631.853476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2631.853476 (E_RNA)
where:
Base-Base interactions energy: -1775.781
where: short stacking energy: -742.952
Base-Backbone interact. energy: 1.163
local terms energy: -857.235480
where:
bonds (distance) C4'-P energy: -173.827
bonds (distance) P-C4' energy: -148.634
flat angles C4'-P-C4' energy: -177.002
flat angles P-C4'-P energy: -131.254
tors. eta vs tors. theta energy: -226.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -2285.095350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2285.095350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2285.095350 (E_RNA)
where:
Base-Base interactions energy: -1529.393
where: short stacking energy: -631.467
Base-Backbone interact. energy: -1.319
local terms energy: -754.383691
where:
bonds (distance) C4'-P energy: -171.583
bonds (distance) P-C4' energy: -138.707
flat angles C4'-P-C4' energy: -152.520
flat angles P-C4'-P energy: -111.316
tors. eta vs tors. theta energy: -180.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -2115.315755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2115.315755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.315755 (E_RNA)
where:
Base-Base interactions energy: -1385.133
where: short stacking energy: -599.817
Base-Backbone interact. energy: 1.722
local terms energy: -732.309931
where:
bonds (distance) C4'-P energy: -153.406
bonds (distance) P-C4' energy: -163.294
flat angles C4'-P-C4' energy: -168.914
flat angles P-C4'-P energy: -106.047
tors. eta vs tors. theta energy: -140.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.405 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -1737.719169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.719169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.719169 (E_RNA)
where:
Base-Base interactions energy: -1094.744
where: short stacking energy: -489.240
Base-Backbone interact. energy: 0.687
local terms energy: -643.662471
where:
bonds (distance) C4'-P energy: -140.401
bonds (distance) P-C4' energy: -158.088
flat angles C4'-P-C4' energy: -143.616
flat angles P-C4'-P energy: -87.070
tors. eta vs tors. theta energy: -114.487
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: 8, replica: 8
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -1217.902037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.902037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.902037 (E_RNA)
where:
Base-Base interactions energy: -683.890
where: short stacking energy: -360.322
Base-Backbone interact. energy: -3.748
local terms energy: -530.263513
where:
bonds (distance) C4'-P energy: -131.016
bonds (distance) P-C4' energy: -163.824
flat angles C4'-P-C4' energy: -142.637
flat angles P-C4'-P energy: -54.631
tors. eta vs tors. theta energy: -38.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -1010.309895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.309895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.309895 (E_RNA)
where:
Base-Base interactions energy: -532.644
where: short stacking energy: -299.392
Base-Backbone interact. energy: 4.762
local terms energy: -482.428216
where:
bonds (distance) C4'-P energy: -134.550
bonds (distance) P-C4' energy: -139.825
flat angles C4'-P-C4' energy: -124.312
flat angles P-C4'-P energy: -73.834
tors. eta vs tors. theta energy: -9.907
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: 10, replica: 2
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -899.425822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.425822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.425822 (E_RNA)
where:
Base-Base interactions energy: -470.437
where: short stacking energy: -272.630
Base-Backbone interact. energy: 3.627
local terms energy: -432.616245
where:
bonds (distance) C4'-P energy: -127.257
bonds (distance) P-C4' energy: -148.650
flat angles C4'-P-C4' energy: -125.073
flat angles P-C4'-P energy: -45.644
tors. eta vs tors. theta energy: 14.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -3027.409705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3027.409705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3027.409705 (E_RNA)
where:
Base-Base interactions energy: -2068.311
where: short stacking energy: -876.066
Base-Backbone interact. energy: 2.185
local terms energy: -961.284056
where:
bonds (distance) C4'-P energy: -183.310
bonds (distance) P-C4' energy: -176.179
flat angles C4'-P-C4' energy: -211.268
flat angles P-C4'-P energy: -138.912
tors. eta vs tors. theta energy: -251.615
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: 270
Temperature: 0.950000
Total energy: -2953.154303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2953.154303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2953.154303 (E_RNA)
where:
Base-Base interactions energy: -2040.917
where: short stacking energy: -844.294
Base-Backbone interact. energy: -3.078
local terms energy: -909.158681
where:
bonds (distance) C4'-P energy: -157.589
bonds (distance) P-C4' energy: -177.609
flat angles C4'-P-C4' energy: -194.758
flat angles P-C4'-P energy: -120.516
tors. eta vs tors. theta energy: -258.687
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: 3, replica: 3
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -2759.115836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2759.115836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2759.115836 (E_RNA)
where:
Base-Base interactions energy: -1880.297
where: short stacking energy: -775.709
Base-Backbone interact. energy: -3.078
local terms energy: -875.740856
where:
bonds (distance) C4'-P energy: -169.486
bonds (distance) P-C4' energy: -155.593
flat angles C4'-P-C4' energy: -198.787
flat angles P-C4'-P energy: -120.377
tors. eta vs tors. theta energy: -231.499
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: 6
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -2560.489025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2560.489025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2560.489025 (E_RNA)
where:
Base-Base interactions energy: -1742.635
where: short stacking energy: -743.364
Base-Backbone interact. energy: -7.430
local terms energy: -810.424188
where:
bonds (distance) C4'-P energy: -148.776
bonds (distance) P-C4' energy: -143.528
flat angles C4'-P-C4' energy: -188.501
flat angles P-C4'-P energy: -121.239
tors. eta vs tors. theta energy: -208.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -2306.788995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2306.788995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2306.788995 (E_RNA)
where:
Base-Base interactions energy: -1547.118
where: short stacking energy: -644.414
Base-Backbone interact. energy: -1.865
local terms energy: -757.805916
where:
bonds (distance) C4'-P energy: -150.457
bonds (distance) P-C4' energy: -164.825
flat angles C4'-P-C4' energy: -164.217
flat angles P-C4'-P energy: -107.247
tors. eta vs tors. theta energy: -171.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -2058.287861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.287861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.287861 (E_RNA)
where:
Base-Base interactions energy: -1355.325
where: short stacking energy: -576.889
Base-Backbone interact. energy: 0.726
local terms energy: -703.688840
where:
bonds (distance) C4'-P energy: -144.614
bonds (distance) P-C4' energy: -157.623
flat angles C4'-P-C4' energy: -156.720
flat angles P-C4'-P energy: -105.197
tors. eta vs tors. theta energy: -139.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -1719.233355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.233355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.233355 (E_RNA)
where:
Base-Base interactions energy: -1050.800
where: short stacking energy: -503.821
Base-Backbone interact. energy: -0.078
local terms energy: -668.354935
where:
bonds (distance) C4'-P energy: -140.568
bonds (distance) P-C4' energy: -151.540
flat angles C4'-P-C4' energy: -155.851
flat angles P-C4'-P energy: -106.206
tors. eta vs tors. theta energy: -114.190
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: 8
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -1218.782926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.782926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.782926 (E_RNA)
where:
Base-Base interactions energy: -643.274
where: short stacking energy: -353.523
Base-Backbone interact. energy: -2.755
local terms energy: -572.754461
where:
bonds (distance) C4'-P energy: -153.651
bonds (distance) P-C4' energy: -141.463
flat angles C4'-P-C4' energy: -155.964
flat angles P-C4'-P energy: -69.641
tors. eta vs tors. theta energy: -52.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -908.998636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.998636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.998636 (E_RNA)
where:
Base-Base interactions energy: -436.076
where: short stacking energy: -228.020
Base-Backbone interact. energy: -0.234
local terms energy: -472.688028
where:
bonds (distance) C4'-P energy: -151.142
bonds (distance) P-C4' energy: -125.302
flat angles C4'-P-C4' energy: -132.203
flat angles P-C4'-P energy: -78.413
tors. eta vs tors. theta energy: 14.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -900.000716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.000716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.000716 (E_RNA)
where:
Base-Base interactions energy: -431.246
where: short stacking energy: -224.085
Base-Backbone interact. energy: -4.000
local terms energy: -464.754390
where:
bonds (distance) C4'-P energy: -142.391
bonds (distance) P-C4' energy: -142.515
flat angles C4'-P-C4' energy: -123.891
flat angles P-C4'-P energy: -61.022
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: 1, replica: 7
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -2987.646753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2987.646753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2987.646753 (E_RNA)
where:
Base-Base interactions energy: -2031.138
where: short stacking energy: -854.078
Base-Backbone interact. energy: -4.034
local terms energy: -952.474515
where:
bonds (distance) C4'-P energy: -173.726
bonds (distance) P-C4' energy: -182.084
flat angles C4'-P-C4' energy: -197.685
flat angles P-C4'-P energy: -141.716
tors. eta vs tors. theta energy: -257.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -2945.486151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2945.486151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2945.486151 (E_RNA)
where:
Base-Base interactions energy: -2035.624
where: short stacking energy: -846.500
Base-Backbone interact. energy: -7.717
local terms energy: -902.145096
where:
bonds (distance) C4'-P energy: -156.770
bonds (distance) P-C4' energy: -175.600
flat angles C4'-P-C4' energy: -195.796
flat angles P-C4'-P energy: -121.768
tors. eta vs tors. theta energy: -252.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -2670.944515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2670.944515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2670.944515 (E_RNA)
where:
Base-Base interactions energy: -1829.211
where: short stacking energy: -719.042
Base-Backbone interact. energy: -3.677
local terms energy: -838.056366
where:
bonds (distance) C4'-P energy: -171.334
bonds (distance) P-C4' energy: -151.483
flat angles C4'-P-C4' energy: -190.752
flat angles P-C4'-P energy: -115.131
tors. eta vs tors. theta energy: -209.357
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: 6
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -2599.716217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2599.716217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2599.716217 (E_RNA)
where:
Base-Base interactions energy: -1781.733
where: short stacking energy: -739.516
Base-Backbone interact. energy: -5.828
local terms energy: -812.154965
where:
bonds (distance) C4'-P energy: -144.416
bonds (distance) P-C4' energy: -165.179
flat angles C4'-P-C4' energy: -179.531
flat angles P-C4'-P energy: -112.053
tors. eta vs tors. theta energy: -210.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -2304.375830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2304.375830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2304.375830 (E_RNA)
where:
Base-Base interactions energy: -1503.332
where: short stacking energy: -634.734
Base-Backbone interact. energy: 3.818
local terms energy: -804.862463
where:
bonds (distance) C4'-P energy: -160.493
bonds (distance) P-C4' energy: -174.457
flat angles C4'-P-C4' energy: -170.568
flat angles P-C4'-P energy: -113.456
tors. eta vs tors. theta energy: -185.889
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: 5
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -2080.353522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.353522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2080.353522 (E_RNA)
where:
Base-Base interactions energy: -1370.077
where: short stacking energy: -628.945
Base-Backbone interact. energy: 5.488
local terms energy: -715.764248
where:
bonds (distance) C4'-P energy: -139.657
bonds (distance) P-C4' energy: -165.961
flat angles C4'-P-C4' energy: -165.134
flat angles P-C4'-P energy: -90.319
tors. eta vs tors. theta energy: -154.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -1716.868651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.868651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.868651 (E_RNA)
where:
Base-Base interactions energy: -1039.770
where: short stacking energy: -478.827
Base-Backbone interact. energy: 0.357
local terms energy: -677.455717
where:
bonds (distance) C4'-P energy: -142.382
bonds (distance) P-C4' energy: -188.087
flat angles C4'-P-C4' energy: -164.122
flat angles P-C4'-P energy: -87.910
tors. eta vs tors. theta energy: -94.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -1297.605118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.605118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.605118 (E_RNA)
where:
Base-Base interactions energy: -712.484
where: short stacking energy: -386.884
Base-Backbone interact. energy: 4.494
local terms energy: -589.615436
where:
bonds (distance) C4'-P energy: -135.277
bonds (distance) P-C4' energy: -160.717
flat angles C4'-P-C4' energy: -154.343
flat angles P-C4'-P energy: -70.055
tors. eta vs tors. theta energy: -69.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -946.060538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.060538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.060538 (E_RNA)
where:
Base-Base interactions energy: -457.863
where: short stacking energy: -252.887
Base-Backbone interact. energy: -1.979
local terms energy: -486.218886
where:
bonds (distance) C4'-P energy: -146.237
bonds (distance) P-C4' energy: -138.201
flat angles C4'-P-C4' energy: -134.607
flat angles P-C4'-P energy: -80.508
tors. eta vs tors. theta energy: 13.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -899.273216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.273216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.273216 (E_RNA)
where:
Base-Base interactions energy: -408.233
where: short stacking energy: -227.573
Base-Backbone interact. energy: -2.740
local terms energy: -488.300383
where:
bonds (distance) C4'-P energy: -138.831
bonds (distance) P-C4' energy: -140.784
flat angles C4'-P-C4' energy: -135.020
flat angles P-C4'-P energy: -71.192
tors. eta vs tors. theta energy: -2.473
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: 7
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -2986.927115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2986.927115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2986.927115 (E_RNA)
where:
Base-Base interactions energy: -2063.621
where: short stacking energy: -823.299
Base-Backbone interact. energy: -0.064
local terms energy: -923.242665
where:
bonds (distance) C4'-P energy: -177.255
bonds (distance) P-C4' energy: -179.639
flat angles C4'-P-C4' energy: -200.728
flat angles P-C4'-P energy: -131.081
tors. eta vs tors. theta energy: -234.540
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: -2896.276959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2896.276959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2896.276959 (E_RNA)
where:
Base-Base interactions energy: -1951.009
where: short stacking energy: -835.051
Base-Backbone interact. energy: -3.316
local terms energy: -941.951914
where:
bonds (distance) C4'-P energy: -173.326
bonds (distance) P-C4' energy: -182.315
flat angles C4'-P-C4' energy: -202.082
flat angles P-C4'-P energy: -130.851
tors. eta vs tors. theta energy: -253.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -2750.473432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2750.473432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2750.473432 (E_RNA)
where:
Base-Base interactions energy: -1908.840
where: short stacking energy: -768.533
Base-Backbone interact. energy: -2.161
local terms energy: -839.472157
where:
bonds (distance) C4'-P energy: -148.491
bonds (distance) P-C4' energy: -170.844
flat angles C4'-P-C4' energy: -189.711
flat angles P-C4'-P energy: -108.053
tors. eta vs tors. theta energy: -222.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -2572.791850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.791850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2572.791850 (E_RNA)
where:
Base-Base interactions energy: -1739.834
where: short stacking energy: -701.869
Base-Backbone interact. energy: -0.876
local terms energy: -832.081925
where:
bonds (distance) C4'-P energy: -156.338
bonds (distance) P-C4' energy: -167.564
flat angles C4'-P-C4' energy: -177.872
flat angles P-C4'-P energy: -115.941
tors. eta vs tors. theta energy: -214.367
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: 1
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -2288.117737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2288.117737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2288.117737 (E_RNA)
where:
Base-Base interactions energy: -1512.931
where: short stacking energy: -641.035
Base-Backbone interact. energy: -1.331
local terms energy: -773.855745
where:
bonds (distance) C4'-P energy: -152.215
bonds (distance) P-C4' energy: -166.386
flat angles C4'-P-C4' energy: -175.592
flat angles P-C4'-P energy: -106.932
tors. eta vs tors. theta energy: -172.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -2088.211254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.211254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.211254 (E_RNA)
where:
Base-Base interactions energy: -1352.532
where: short stacking energy: -609.391
Base-Backbone interact. energy: 0.269
local terms energy: -735.948719
where:
bonds (distance) C4'-P energy: -151.312
bonds (distance) P-C4' energy: -149.978
flat angles C4'-P-C4' energy: -173.650
flat angles P-C4'-P energy: -103.069
tors. eta vs tors. theta energy: -157.939
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: 9
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -1820.051701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.051701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.051701 (E_RNA)
where:
Base-Base interactions energy: -1152.289
where: short stacking energy: -505.570
Base-Backbone interact. energy: -2.713
local terms energy: -665.049826
where:
bonds (distance) C4'-P energy: -148.421
bonds (distance) P-C4' energy: -156.269
flat angles C4'-P-C4' energy: -161.068
flat angles P-C4'-P energy: -82.683
tors. eta vs tors. theta energy: -116.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -1246.446582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.446582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.446582 (E_RNA)
where:
Base-Base interactions energy: -662.520
where: short stacking energy: -369.193
Base-Backbone interact. energy: 2.851
local terms energy: -586.777196
where:
bonds (distance) C4'-P energy: -150.157
bonds (distance) P-C4' energy: -154.136
flat angles C4'-P-C4' energy: -153.155
flat angles P-C4'-P energy: -72.506
tors. eta vs tors. theta energy: -56.823
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: 272
Temperature: 1.300000
Total energy: -992.390327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.390327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.390327 (E_RNA)
where:
Base-Base interactions energy: -493.841
where: short stacking energy: -276.012
Base-Backbone interact. energy: 0.115
local terms energy: -498.664422
where:
bonds (distance) C4'-P energy: -142.960
bonds (distance) P-C4' energy: -132.165
flat angles C4'-P-C4' energy: -137.910
flat angles P-C4'-P energy: -81.120
tors. eta vs tors. theta energy: -4.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -899.839125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.839125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.839125 (E_RNA)
where:
Base-Base interactions energy: -421.194
where: short stacking energy: -213.359
Base-Backbone interact. energy: -3.065
local terms energy: -475.579165
where:
bonds (distance) C4'-P energy: -129.084
bonds (distance) P-C4' energy: -150.848
flat angles C4'-P-C4' energy: -142.093
flat angles P-C4'-P energy: -73.463
tors. eta vs tors. theta energy: 19.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -3037.791019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3037.791019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3037.791019 (E_RNA)
where:
Base-Base interactions energy: -2096.829
where: short stacking energy: -851.972
Base-Backbone interact. energy: -4.354
local terms energy: -936.608518
where:
bonds (distance) C4'-P energy: -165.303
bonds (distance) P-C4' energy: -176.292
flat angles C4'-P-C4' energy: -212.787
flat angles P-C4'-P energy: -131.378
tors. eta vs tors. theta energy: -250.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -2896.813748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2896.813748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2896.813748 (E_RNA)
where:
Base-Base interactions energy: -1968.071
where: short stacking energy: -818.808
Base-Backbone interact. energy: -8.704
local terms energy: -920.038690
where:
bonds (distance) C4'-P energy: -165.156
bonds (distance) P-C4' energy: -166.973
flat angles C4'-P-C4' energy: -198.019
flat angles P-C4'-P energy: -136.380
tors. eta vs tors. theta energy: -253.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -2705.782836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2705.782836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2705.782836 (E_RNA)
where:
Base-Base interactions energy: -1846.504
where: short stacking energy: -745.186
Base-Backbone interact. energy: -2.047
local terms energy: -857.231920
where:
bonds (distance) C4'-P energy: -166.296
bonds (distance) P-C4' energy: -164.190
flat angles C4'-P-C4' energy: -175.512
flat angles P-C4'-P energy: -137.400
tors. eta vs tors. theta energy: -213.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -2595.318650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2595.318650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2595.318650 (E_RNA)
where:
Base-Base interactions energy: -1771.223
where: short stacking energy: -740.507
Base-Backbone interact. energy: -0.557
local terms energy: -823.539122
where:
bonds (distance) C4'-P energy: -151.243
bonds (distance) P-C4' energy: -177.123
flat angles C4'-P-C4' energy: -180.943
flat angles P-C4'-P energy: -109.378
tors. eta vs tors. theta energy: -204.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -2309.087890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2309.087890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2309.087890 (E_RNA)
where:
Base-Base interactions energy: -1535.712
where: short stacking energy: -670.890
Base-Backbone interact. energy: 0.024
local terms energy: -773.399906
where:
bonds (distance) C4'-P energy: -157.069
bonds (distance) P-C4' energy: -170.680
flat angles C4'-P-C4' energy: -154.028
flat angles P-C4'-P energy: -109.261
tors. eta vs tors. theta energy: -182.361
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: 5
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -2064.481068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.481068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.481068 (E_RNA)
where:
Base-Base interactions energy: -1340.797
where: short stacking energy: -626.223
Base-Backbone interact. energy: 0.508
local terms energy: -724.192347
where:
bonds (distance) C4'-P energy: -154.436
bonds (distance) P-C4' energy: -133.103
flat angles C4'-P-C4' energy: -163.758
flat angles P-C4'-P energy: -95.060
tors. eta vs tors. theta energy: -177.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -1763.313142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.313142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.313142 (E_RNA)
where:
Base-Base interactions energy: -1100.652
where: short stacking energy: -481.911
Base-Backbone interact. energy: 2.331
local terms energy: -664.992191
where:
bonds (distance) C4'-P energy: -144.424
bonds (distance) P-C4' energy: -165.700
flat angles C4'-P-C4' energy: -153.247
flat angles P-C4'-P energy: -95.844
tors. eta vs tors. theta energy: -105.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -1227.720953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.720953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.720953 (E_RNA)
where:
Base-Base interactions energy: -651.424
where: short stacking energy: -348.260
Base-Backbone interact. energy: -3.446
local terms energy: -572.850925
where:
bonds (distance) C4'-P energy: -125.521
bonds (distance) P-C4' energy: -172.366
flat angles C4'-P-C4' energy: -142.898
flat angles P-C4'-P energy: -96.830
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: 9, replica: 2
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -963.232474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.232474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.232474 (E_RNA)
where:
Base-Base interactions energy: -485.843
where: short stacking energy: -285.588
Base-Backbone interact. energy: -2.430
local terms energy: -474.959641
where:
bonds (distance) C4'-P energy: -135.389
bonds (distance) P-C4' energy: -140.987
flat angles C4'-P-C4' energy: -139.657
flat angles P-C4'-P energy: -61.974
tors. eta vs tors. theta energy: 3.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -832.271627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.271627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.271627 (E_RNA)
where:
Base-Base interactions energy: -392.637
where: short stacking energy: -259.891
Base-Backbone interact. energy: 3.427
local terms energy: -443.061396
where:
bonds (distance) C4'-P energy: -146.273
bonds (distance) P-C4' energy: -140.939
flat angles C4'-P-C4' energy: -119.492
flat angles P-C4'-P energy: -60.708
tors. eta vs tors. theta energy: 24.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -2976.721757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2976.721757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2976.721757 (E_RNA)
where:
Base-Base interactions energy: -2036.669
where: short stacking energy: -842.230
Base-Backbone interact. energy: -2.289
local terms energy: -937.764241
where:
bonds (distance) C4'-P energy: -183.387
bonds (distance) P-C4' energy: -162.748
flat angles C4'-P-C4' energy: -209.831
flat angles P-C4'-P energy: -136.901
tors. eta vs tors. theta energy: -244.897
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: 10
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -2891.908476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2891.908476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2891.908476 (E_RNA)
where:
Base-Base interactions energy: -1959.864
where: short stacking energy: -813.411
Base-Backbone interact. energy: -3.257
local terms energy: -928.788198
where:
bonds (distance) C4'-P energy: -176.564
bonds (distance) P-C4' energy: -188.851
flat angles C4'-P-C4' energy: -197.456
flat angles P-C4'-P energy: -123.530
tors. eta vs tors. theta energy: -242.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -2720.130955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2720.130955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2720.130955 (E_RNA)
where:
Base-Base interactions energy: -1873.864
where: short stacking energy: -726.351
Base-Backbone interact. energy: -4.451
local terms energy: -841.815992
where:
bonds (distance) C4'-P energy: -161.941
bonds (distance) P-C4' energy: -174.554
flat angles C4'-P-C4' energy: -192.967
flat angles P-C4'-P energy: -111.862
tors. eta vs tors. theta energy: -200.492
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: 6
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -2616.766205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2616.766205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2616.766205 (E_RNA)
where:
Base-Base interactions energy: -1769.522
where: short stacking energy: -719.283
Base-Backbone interact. energy: -3.704
local terms energy: -843.540399
where:
bonds (distance) C4'-P energy: -165.602
bonds (distance) P-C4' energy: -165.413
flat angles C4'-P-C4' energy: -176.735
flat angles P-C4'-P energy: -123.471
tors. eta vs tors. theta energy: -212.319
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: 1
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -2299.447013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2299.447013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2299.447013 (E_RNA)
where:
Base-Base interactions energy: -1553.392
where: short stacking energy: -670.455
Base-Backbone interact. energy: 3.151
local terms energy: -749.206119
where:
bonds (distance) C4'-P energy: -146.579
bonds (distance) P-C4' energy: -161.012
flat angles C4'-P-C4' energy: -157.649
flat angles P-C4'-P energy: -109.869
tors. eta vs tors. theta energy: -174.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -1983.097199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.097199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.097199 (E_RNA)
where:
Base-Base interactions energy: -1282.110
where: short stacking energy: -571.404
Base-Backbone interact. energy: -2.706
local terms energy: -698.282116
where:
bonds (distance) C4'-P energy: -148.235
bonds (distance) P-C4' energy: -168.717
flat angles C4'-P-C4' energy: -145.854
flat angles P-C4'-P energy: -96.378
tors. eta vs tors. theta energy: -139.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -1673.747520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.747520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.747520 (E_RNA)
where:
Base-Base interactions energy: -1041.292
where: short stacking energy: -525.583
Base-Backbone interact. energy: -4.605
local terms energy: -627.849668
where:
bonds (distance) C4'-P energy: -135.720
bonds (distance) P-C4' energy: -146.985
flat angles C4'-P-C4' energy: -144.714
flat angles P-C4'-P energy: -96.541
tors. eta vs tors. theta energy: -103.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -1307.165614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.165614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.165614 (E_RNA)
where:
Base-Base interactions energy: -731.413
where: short stacking energy: -390.959
Base-Backbone interact. energy: 3.928
local terms energy: -579.680474
where:
bonds (distance) C4'-P energy: -124.360
bonds (distance) P-C4' energy: -153.859
flat angles C4'-P-C4' energy: -163.412
flat angles P-C4'-P energy: -84.179
tors. eta vs tors. theta energy: -53.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -980.430957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.430957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.430957 (E_RNA)
where:
Base-Base interactions energy: -470.008
where: short stacking energy: -272.494
Base-Backbone interact. energy: 4.146
local terms energy: -514.568402
where:
bonds (distance) C4'-P energy: -132.871
bonds (distance) P-C4' energy: -159.201
flat angles C4'-P-C4' energy: -150.522
flat angles P-C4'-P energy: -76.534
tors. eta vs tors. theta energy: 4.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -821.401401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.401401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.401401 (E_RNA)
where:
Base-Base interactions energy: -373.002
where: short stacking energy: -210.595
Base-Backbone interact. energy: -3.160
local terms energy: -445.240140
where:
bonds (distance) C4'-P energy: -144.664
bonds (distance) P-C4' energy: -158.326
flat angles C4'-P-C4' energy: -121.178
flat angles P-C4'-P energy: -50.335
tors. eta vs tors. theta energy: 29.263
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: 1, replica: 7
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -3002.160851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3002.160851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3002.160851 (E_RNA)
where:
Base-Base interactions energy: -2054.218
where: short stacking energy: -840.422
Base-Backbone interact. energy: -2.878
local terms energy: -945.064695
where:
bonds (distance) C4'-P energy: -179.032
bonds (distance) P-C4' energy: -175.122
flat angles C4'-P-C4' energy: -197.702
flat angles P-C4'-P energy: -141.788
tors. eta vs tors. theta energy: -251.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -2901.965189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2901.965189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2901.965189 (E_RNA)
where:
Base-Base interactions energy: -1985.158
where: short stacking energy: -844.035
Base-Backbone interact. energy: -3.830
local terms energy: -912.977578
where:
bonds (distance) C4'-P energy: -171.706
bonds (distance) P-C4' energy: -162.082
flat angles C4'-P-C4' energy: -182.896
flat angles P-C4'-P energy: -141.730
tors. eta vs tors. theta energy: -254.563
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: 3
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -2693.546933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2693.546933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2693.546933 (E_RNA)
where:
Base-Base interactions energy: -1875.314
where: short stacking energy: -782.674
Base-Backbone interact. energy: -4.770
local terms energy: -813.463299
where:
bonds (distance) C4'-P energy: -146.738
bonds (distance) P-C4' energy: -177.710
flat angles C4'-P-C4' energy: -178.919
flat angles P-C4'-P energy: -86.522
tors. eta vs tors. theta energy: -223.574
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: 275
Temperature: 1.050000
Total energy: -2574.829265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2574.829265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2574.829265 (E_RNA)
where:
Base-Base interactions energy: -1769.231
where: short stacking energy: -720.610
Base-Backbone interact. energy: 1.103
local terms energy: -806.701623
where:
bonds (distance) C4'-P energy: -149.128
bonds (distance) P-C4' energy: -174.103
flat angles C4'-P-C4' energy: -175.801
flat angles P-C4'-P energy: -100.335
tors. eta vs tors. theta energy: -207.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -2274.346906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.346906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.346906 (E_RNA)
where:
Base-Base interactions energy: -1521.950
where: short stacking energy: -620.766
Base-Backbone interact. energy: 2.468
local terms energy: -754.864813
where:
bonds (distance) C4'-P energy: -160.955
bonds (distance) P-C4' energy: -164.469
flat angles C4'-P-C4' energy: -166.549
flat angles P-C4'-P energy: -104.500
tors. eta vs tors. theta energy: -158.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -2041.257083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.257083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.257083 (E_RNA)
where:
Base-Base interactions energy: -1323.804
where: short stacking energy: -564.331
Base-Backbone interact. energy: -7.265
local terms energy: -710.402980
where:
bonds (distance) C4'-P energy: -132.888
bonds (distance) P-C4' energy: -158.876
flat angles C4'-P-C4' energy: -158.516
flat angles P-C4'-P energy: -99.458
tors. eta vs tors. theta energy: -160.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.215 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -1638.388408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.388408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.388408 (E_RNA)
where:
Base-Base interactions energy: -995.457
where: short stacking energy: -467.329
Base-Backbone interact. energy: -0.883
local terms energy: -642.048104
where:
bonds (distance) C4'-P energy: -163.292
bonds (distance) P-C4' energy: -126.183
flat angles C4'-P-C4' energy: -153.753
flat angles P-C4'-P energy: -114.440
tors. eta vs tors. theta energy: -84.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -1231.929260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.929260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.929260 (E_RNA)
where:
Base-Base interactions energy: -726.237
where: short stacking energy: -360.119
Base-Backbone interact. energy: -4.082
local terms energy: -501.610812
where:
bonds (distance) C4'-P energy: -109.395
bonds (distance) P-C4' energy: -123.027
flat angles C4'-P-C4' energy: -153.226
flat angles P-C4'-P energy: -78.575
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: 9, replica: 2
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -959.948345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.948345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.948345 (E_RNA)
where:
Base-Base interactions energy: -481.950
where: short stacking energy: -269.297
Base-Backbone interact. energy: -2.707
local terms energy: -475.290999
where:
bonds (distance) C4'-P energy: -130.417
bonds (distance) P-C4' energy: -155.250
flat angles C4'-P-C4' energy: -121.849
flat angles P-C4'-P energy: -78.690
tors. eta vs tors. theta energy: 10.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -846.178267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.178267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.178267 (E_RNA)
where:
Base-Base interactions energy: -383.232
where: short stacking energy: -228.243
Base-Backbone interact. energy: -0.523
local terms energy: -462.423942
where:
bonds (distance) C4'-P energy: -140.250
bonds (distance) P-C4' energy: -153.010
flat angles C4'-P-C4' energy: -127.132
flat angles P-C4'-P energy: -49.293
tors. eta vs tors. theta energy: 7.261
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: 1, replica: 7
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -3013.136961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3013.136961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3013.136961 (E_RNA)
where:
Base-Base interactions energy: -2060.576
where: short stacking energy: -881.848
Base-Backbone interact. energy: -0.445
local terms energy: -952.115809
where:
bonds (distance) C4'-P energy: -177.677
bonds (distance) P-C4' energy: -182.908
flat angles C4'-P-C4' energy: -194.825
flat angles P-C4'-P energy: -139.246
tors. eta vs tors. theta energy: -257.460
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: 10
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -2902.428116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2902.428116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2902.428116 (E_RNA)
where:
Base-Base interactions energy: -1996.046
where: short stacking energy: -866.581
Base-Backbone interact. energy: -2.507
local terms energy: -903.875603
where:
bonds (distance) C4'-P energy: -168.450
bonds (distance) P-C4' energy: -159.365
flat angles C4'-P-C4' energy: -188.840
flat angles P-C4'-P energy: -123.799
tors. eta vs tors. theta energy: -263.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -2743.361149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2743.361149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2743.361149 (E_RNA)
where:
Base-Base interactions energy: -1875.719
where: short stacking energy: -747.319
Base-Backbone interact. energy: -2.049
local terms energy: -865.593014
where:
bonds (distance) C4'-P energy: -178.262
bonds (distance) P-C4' energy: -173.575
flat angles C4'-P-C4' energy: -178.195
flat angles P-C4'-P energy: -118.384
tors. eta vs tors. theta energy: -217.177
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: 6
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -2631.232314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2631.232314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2631.232314 (E_RNA)
where:
Base-Base interactions energy: -1757.381
where: short stacking energy: -714.073
Base-Backbone interact. energy: -4.502
local terms energy: -869.349602
where:
bonds (distance) C4'-P energy: -159.040
bonds (distance) P-C4' energy: -186.838
flat angles C4'-P-C4' energy: -186.303
flat angles P-C4'-P energy: -113.731
tors. eta vs tors. theta energy: -223.437
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: 1
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -2254.064797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2254.064797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2254.064797 (E_RNA)
where:
Base-Base interactions energy: -1474.627
where: short stacking energy: -634.554
Base-Backbone interact. energy: -2.483
local terms energy: -776.954726
where:
bonds (distance) C4'-P energy: -174.896
bonds (distance) P-C4' energy: -168.374
flat angles C4'-P-C4' energy: -162.222
flat angles P-C4'-P energy: -108.161
tors. eta vs tors. theta energy: -163.301
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: 5
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -2020.645050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.645050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.645050 (E_RNA)
where:
Base-Base interactions energy: -1300.365
where: short stacking energy: -552.431
Base-Backbone interact. energy: -0.759
local terms energy: -719.520360
where:
bonds (distance) C4'-P energy: -155.055
bonds (distance) P-C4' energy: -174.133
flat angles C4'-P-C4' energy: -150.141
flat angles P-C4'-P energy: -94.069
tors. eta vs tors. theta energy: -146.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -1740.197824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.197824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.197824 (E_RNA)
where:
Base-Base interactions energy: -1080.578
where: short stacking energy: -473.025
Base-Backbone interact. energy: -2.654
local terms energy: -656.966652
where:
bonds (distance) C4'-P energy: -138.274
bonds (distance) P-C4' energy: -158.786
flat angles C4'-P-C4' energy: -171.816
flat angles P-C4'-P energy: -97.575
tors. eta vs tors. theta energy: -90.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -1267.208356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.208356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.208356 (E_RNA)
where:
Base-Base interactions energy: -731.158
where: short stacking energy: -370.459
Base-Backbone interact. energy: 4.521
local terms energy: -540.570712
where:
bonds (distance) C4'-P energy: -141.050
bonds (distance) P-C4' energy: -141.788
flat angles C4'-P-C4' energy: -150.324
flat angles P-C4'-P energy: -72.028
tors. eta vs tors. theta energy: -35.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -957.880388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.880388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.880388 (E_RNA)
where:
Base-Base interactions energy: -457.040
where: short stacking energy: -247.304
Base-Backbone interact. energy: -1.033
local terms energy: -499.807390
where:
bonds (distance) C4'-P energy: -143.456
bonds (distance) P-C4' energy: -148.378
flat angles C4'-P-C4' energy: -123.574
flat angles P-C4'-P energy: -90.145
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: 10, replica: 4
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -849.905462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.905462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.905462 (E_RNA)
where:
Base-Base interactions energy: -418.361
where: short stacking energy: -265.394
Base-Backbone interact. energy: 0.870
local terms energy: -432.414493
where:
bonds (distance) C4'-P energy: -103.170
bonds (distance) P-C4' energy: -147.250
flat angles C4'-P-C4' energy: -130.530
flat angles P-C4'-P energy: -67.206
tors. eta vs tors. theta energy: 15.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -3025.563639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3025.563639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3025.563639 (E_RNA)
where:
Base-Base interactions energy: -2060.148
where: short stacking energy: -859.423
Base-Backbone interact. energy: -3.594
local terms energy: -961.822069
where:
bonds (distance) C4'-P energy: -194.856
bonds (distance) P-C4' energy: -181.754
flat angles C4'-P-C4' energy: -192.785
flat angles P-C4'-P energy: -130.498
tors. eta vs tors. theta energy: -261.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -2892.426764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2892.426764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2892.426764 (E_RNA)
where:
Base-Base interactions energy: -1998.105
where: short stacking energy: -822.013
Base-Backbone interact. energy: -5.601
local terms energy: -888.720807
where:
bonds (distance) C4'-P energy: -168.652
bonds (distance) P-C4' energy: -173.929
flat angles C4'-P-C4' energy: -182.581
flat angles P-C4'-P energy: -116.028
tors. eta vs tors. theta energy: -247.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -2750.525174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2750.525174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2750.525174 (E_RNA)
where:
Base-Base interactions energy: -1887.124
where: short stacking energy: -780.667
Base-Backbone interact. energy: 2.828
local terms energy: -866.229225
where:
bonds (distance) C4'-P energy: -144.453
bonds (distance) P-C4' energy: -191.853
flat angles C4'-P-C4' energy: -200.085
flat angles P-C4'-P energy: -106.279
tors. eta vs tors. theta energy: -223.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -2606.471628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2606.471628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2606.471628 (E_RNA)
where:
Base-Base interactions energy: -1791.061
where: short stacking energy: -755.945
Base-Backbone interact. energy: -3.985
local terms energy: -811.426268
where:
bonds (distance) C4'-P energy: -155.677
bonds (distance) P-C4' energy: -147.332
flat angles C4'-P-C4' energy: -179.205
flat angles P-C4'-P energy: -111.864
tors. eta vs tors. theta energy: -217.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -2290.650762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2290.650762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2290.650762 (E_RNA)
where:
Base-Base interactions energy: -1518.079
where: short stacking energy: -628.047
Base-Backbone interact. energy: -4.449
local terms energy: -768.123349
where:
bonds (distance) C4'-P energy: -157.568
bonds (distance) P-C4' energy: -166.449
flat angles C4'-P-C4' energy: -174.939
flat angles P-C4'-P energy: -96.282
tors. eta vs tors. theta energy: -172.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -2054.622392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.622392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.622392 (E_RNA)
where:
Base-Base interactions energy: -1329.355
where: short stacking energy: -591.314
Base-Backbone interact. energy: -0.753
local terms energy: -724.514070
where:
bonds (distance) C4'-P energy: -152.684
bonds (distance) P-C4' energy: -144.940
flat angles C4'-P-C4' energy: -155.387
flat angles P-C4'-P energy: -106.913
tors. eta vs tors. theta energy: -164.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -1785.039521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.039521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.039521 (E_RNA)
where:
Base-Base interactions energy: -1095.909
where: short stacking energy: -507.846
Base-Backbone interact. energy: -0.574
local terms energy: -689.710181
where:
bonds (distance) C4'-P energy: -149.752
bonds (distance) P-C4' energy: -176.584
flat angles C4'-P-C4' energy: -156.382
flat angles P-C4'-P energy: -93.579
tors. eta vs tors. theta energy: -113.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.154 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -1294.700936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.700936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.700936 (E_RNA)
where:
Base-Base interactions energy: -772.721
where: short stacking energy: -403.246
Base-Backbone interact. energy: -1.165
local terms energy: -520.814674
where:
bonds (distance) C4'-P energy: -129.105
bonds (distance) P-C4' energy: -154.738
flat angles C4'-P-C4' energy: -131.715
flat angles P-C4'-P energy: -80.335
tors. eta vs tors. theta energy: -24.921
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: 9, replica: 2
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -940.190731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.190731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.190731 (E_RNA)
where:
Base-Base interactions energy: -460.477
where: short stacking energy: -236.665
Base-Backbone interact. energy: -2.607
local terms energy: -477.106439
where:
bonds (distance) C4'-P energy: -137.467
bonds (distance) P-C4' energy: -167.152
flat angles C4'-P-C4' energy: -107.753
flat angles P-C4'-P energy: -69.783
tors. eta vs tors. theta energy: 5.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -870.069608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.069608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.069608 (E_RNA)
where:
Base-Base interactions energy: -386.022
where: short stacking energy: -204.571
Base-Backbone interact. energy: -5.810
local terms energy: -478.237640
where:
bonds (distance) C4'-P energy: -136.819
bonds (distance) P-C4' energy: -165.352
flat angles C4'-P-C4' energy: -118.032
flat angles P-C4'-P energy: -71.848
tors. eta vs tors. theta energy: 13.813
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: 7
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -3004.277219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3004.277219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3004.277219 (E_RNA)
where:
Base-Base interactions energy: -2069.343
where: short stacking energy: -839.751
Base-Backbone interact. energy: 1.139
local terms energy: -936.073207
where:
bonds (distance) C4'-P energy: -171.172
bonds (distance) P-C4' energy: -167.961
flat angles C4'-P-C4' energy: -199.768
flat angles P-C4'-P energy: -139.086
tors. eta vs tors. theta energy: -258.086
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: 2, replica: 10
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -2928.589530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2928.589530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2928.589530 (E_RNA)
where:
Base-Base interactions energy: -2029.475
where: short stacking energy: -809.103
Base-Backbone interact. energy: -6.240
local terms energy: -892.874601
where:
bonds (distance) C4'-P energy: -161.163
bonds (distance) P-C4' energy: -161.381
flat angles C4'-P-C4' energy: -191.587
flat angles P-C4'-P energy: -127.369
tors. eta vs tors. theta energy: -251.374
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: 3
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -2761.724113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2761.724113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2761.724113 (E_RNA)
where:
Base-Base interactions energy: -1892.674
where: short stacking energy: -783.764
Base-Backbone interact. energy: 4.350
local terms energy: -873.400351
where:
bonds (distance) C4'-P energy: -171.405
bonds (distance) P-C4' energy: -167.161
flat angles C4'-P-C4' energy: -194.038
flat angles P-C4'-P energy: -117.042
tors. eta vs tors. theta energy: -223.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -2582.365147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2582.365147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2582.365147 (E_RNA)
where:
Base-Base interactions energy: -1727.368
where: short stacking energy: -757.512
Base-Backbone interact. energy: -4.055
local terms energy: -850.941382
where:
bonds (distance) C4'-P energy: -172.546
bonds (distance) P-C4' energy: -159.833
flat angles C4'-P-C4' energy: -180.438
flat angles P-C4'-P energy: -115.453
tors. eta vs tors. theta energy: -222.671
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: 1
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -2255.321983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.321983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2255.321983 (E_RNA)
where:
Base-Base interactions energy: -1524.268
where: short stacking energy: -631.562
Base-Backbone interact. energy: -0.465
local terms energy: -730.589749
where:
bonds (distance) C4'-P energy: -155.227
bonds (distance) P-C4' energy: -168.789
flat angles C4'-P-C4' energy: -143.233
flat angles P-C4'-P energy: -97.447
tors. eta vs tors. theta energy: -165.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -2073.291304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.291304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.291304 (E_RNA)
where:
Base-Base interactions energy: -1339.036
where: short stacking energy: -579.353
Base-Backbone interact. energy: 0.078
local terms energy: -734.333160
where:
bonds (distance) C4'-P energy: -160.201
bonds (distance) P-C4' energy: -152.340
flat angles C4'-P-C4' energy: -165.425
flat angles P-C4'-P energy: -106.486
tors. eta vs tors. theta energy: -149.882
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: 9
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -1792.819213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.819213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.819213 (E_RNA)
where:
Base-Base interactions energy: -1147.168
where: short stacking energy: -525.150
Base-Backbone interact. energy: 0.598
local terms energy: -647.027853
where:
bonds (distance) C4'-P energy: -127.423
bonds (distance) P-C4' energy: -145.532
flat angles C4'-P-C4' energy: -152.931
flat angles P-C4'-P energy: -100.875
tors. eta vs tors. theta energy: -120.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.778 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -1197.258267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.258267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.258267 (E_RNA)
where:
Base-Base interactions energy: -635.535
where: short stacking energy: -341.704
Base-Backbone interact. energy: -1.352
local terms energy: -560.371964
where:
bonds (distance) C4'-P energy: -147.667
bonds (distance) P-C4' energy: -159.406
flat angles C4'-P-C4' energy: -133.933
flat angles P-C4'-P energy: -75.009
tors. eta vs tors. theta energy: -44.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -931.596393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.596393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.596393 (E_RNA)
where:
Base-Base interactions energy: -425.712
where: short stacking energy: -258.839
Base-Backbone interact. energy: 1.811
local terms energy: -507.695452
where:
bonds (distance) C4'-P energy: -148.457
bonds (distance) P-C4' energy: -147.884
flat angles C4'-P-C4' energy: -150.156
flat angles P-C4'-P energy: -68.909
tors. eta vs tors. theta energy: 7.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -885.449353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.449353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.449353 (E_RNA)
where:
Base-Base interactions energy: -435.379
where: short stacking energy: -253.682
Base-Backbone interact. energy: 1.166
local terms energy: -451.236791
where:
bonds (distance) C4'-P energy: -145.693
bonds (distance) P-C4' energy: -141.624
flat angles C4'-P-C4' energy: -116.279
flat angles P-C4'-P energy: -44.632
tors. eta vs tors. theta energy: -3.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -3035.837275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3035.837275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3035.837275 (E_RNA)
where:
Base-Base interactions energy: -2096.488
where: short stacking energy: -848.390
Base-Backbone interact. energy: -2.543
local terms energy: -936.805401
where:
bonds (distance) C4'-P energy: -177.743
bonds (distance) P-C4' energy: -174.021
flat angles C4'-P-C4' energy: -204.722
flat angles P-C4'-P energy: -131.190
tors. eta vs tors. theta energy: -249.129
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: 10
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -2916.746066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2916.746066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2916.746066 (E_RNA)
where:
Base-Base interactions energy: -1987.381
where: short stacking energy: -807.336
Base-Backbone interact. energy: -6.372
local terms energy: -922.992392
where:
bonds (distance) C4'-P energy: -162.273
bonds (distance) P-C4' energy: -189.697
flat angles C4'-P-C4' energy: -180.204
flat angles P-C4'-P energy: -134.969
tors. eta vs tors. theta energy: -255.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -2691.048436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2691.048436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2691.048436 (E_RNA)
where:
Base-Base interactions energy: -1817.411
where: short stacking energy: -726.090
Base-Backbone interact. energy: 1.572
local terms energy: -875.209435
where:
bonds (distance) C4'-P energy: -175.149
bonds (distance) P-C4' energy: -167.534
flat angles C4'-P-C4' energy: -198.260
flat angles P-C4'-P energy: -129.780
tors. eta vs tors. theta energy: -204.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -2552.265082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2552.265082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2552.265082 (E_RNA)
where:
Base-Base interactions energy: -1763.845
where: short stacking energy: -725.829
Base-Backbone interact. energy: -4.387
local terms energy: -784.032587
where:
bonds (distance) C4'-P energy: -145.013
bonds (distance) P-C4' energy: -166.922
flat angles C4'-P-C4' energy: -164.145
flat angles P-C4'-P energy: -97.019
tors. eta vs tors. theta energy: -210.933
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: 1
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -2373.346290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2373.346290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2373.346290 (E_RNA)
where:
Base-Base interactions energy: -1603.369
where: short stacking energy: -644.759
Base-Backbone interact. energy: -4.332
local terms energy: -765.645213
where:
bonds (distance) C4'-P energy: -161.017
bonds (distance) P-C4' energy: -154.058
flat angles C4'-P-C4' energy: -158.555
flat angles P-C4'-P energy: -116.006
tors. eta vs tors. theta energy: -176.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -1944.442827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.442827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.442827 (E_RNA)
where:
Base-Base interactions energy: -1278.369
where: short stacking energy: -551.844
Base-Backbone interact. energy: -1.413
local terms energy: -664.661340
where:
bonds (distance) C4'-P energy: -131.515
bonds (distance) P-C4' energy: -158.047
flat angles C4'-P-C4' energy: -165.109
flat angles P-C4'-P energy: -90.051
tors. eta vs tors. theta energy: -119.939
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: 9
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -1836.520074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.520074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.520074 (E_RNA)
where:
Base-Base interactions energy: -1175.077
where: short stacking energy: -525.535
Base-Backbone interact. energy: 3.398
local terms energy: -664.841087
where:
bonds (distance) C4'-P energy: -158.106
bonds (distance) P-C4' energy: -141.763
flat angles C4'-P-C4' energy: -150.520
flat angles P-C4'-P energy: -94.397
tors. eta vs tors. theta energy: -120.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -1182.013594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.013594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.013594 (E_RNA)
where:
Base-Base interactions energy: -655.971
where: short stacking energy: -320.730
Base-Backbone interact. energy: -1.508
local terms energy: -524.534012
where:
bonds (distance) C4'-P energy: -137.537
bonds (distance) P-C4' energy: -146.916
flat angles C4'-P-C4' energy: -129.005
flat angles P-C4'-P energy: -89.682
tors. eta vs tors. theta energy: -21.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -973.675721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.675721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.675721 (E_RNA)
where:
Base-Base interactions energy: -480.485
where: short stacking energy: -286.351
Base-Backbone interact. energy: 1.507
local terms energy: -494.697095
where:
bonds (distance) C4'-P energy: -142.267
bonds (distance) P-C4' energy: -164.589
flat angles C4'-P-C4' energy: -113.172
flat angles P-C4'-P energy: -56.910
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: 10, replica: 4
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -873.461911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.461911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.461911 (E_RNA)
where:
Base-Base interactions energy: -428.702
where: short stacking energy: -236.050
Base-Backbone interact. energy: 7.202
local terms energy: -451.961208
where:
bonds (distance) C4'-P energy: -149.758
bonds (distance) P-C4' energy: -133.076
flat angles C4'-P-C4' energy: -132.893
flat angles P-C4'-P energy: -63.800
tors. eta vs tors. theta energy: 27.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -3031.072127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3031.072127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3031.072127 (E_RNA)
where:
Base-Base interactions energy: -2107.308
where: short stacking energy: -850.708
Base-Backbone interact. energy: -1.624
local terms energy: -922.140885
where:
bonds (distance) C4'-P energy: -166.788
bonds (distance) P-C4' energy: -171.346
flat angles C4'-P-C4' energy: -205.956
flat angles P-C4'-P energy: -137.714
tors. eta vs tors. theta energy: -240.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -2928.844872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2928.844872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2928.844872 (E_RNA)
where:
Base-Base interactions energy: -2027.015
where: short stacking energy: -833.863
Base-Backbone interact. energy: -6.517
local terms energy: -895.312884
where:
bonds (distance) C4'-P energy: -157.529
bonds (distance) P-C4' energy: -161.828
flat angles C4'-P-C4' energy: -195.498
flat angles P-C4'-P energy: -120.181
tors. eta vs tors. theta energy: -260.277
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: 3
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -2692.618257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2692.618257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2692.618257 (E_RNA)
where:
Base-Base interactions energy: -1821.178
where: short stacking energy: -742.215
Base-Backbone interact. energy: 5.866
local terms energy: -877.306144
where:
bonds (distance) C4'-P energy: -157.069
bonds (distance) P-C4' energy: -171.791
flat angles C4'-P-C4' energy: -202.723
flat angles P-C4'-P energy: -128.571
tors. eta vs tors. theta energy: -217.152
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: 6
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -2577.926498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2577.926498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2577.926498 (E_RNA)
where:
Base-Base interactions energy: -1769.864
where: short stacking energy: -705.644
Base-Backbone interact. energy: -2.221
local terms energy: -805.841524
where:
bonds (distance) C4'-P energy: -169.716
bonds (distance) P-C4' energy: -153.547
flat angles C4'-P-C4' energy: -174.852
flat angles P-C4'-P energy: -104.444
tors. eta vs tors. theta energy: -203.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -2420.163359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2420.163359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2420.163359 (E_RNA)
where:
Base-Base interactions energy: -1632.524
where: short stacking energy: -655.599
Base-Backbone interact. energy: -3.388
local terms energy: -784.251277
where:
bonds (distance) C4'-P energy: -142.237
bonds (distance) P-C4' energy: -174.992
flat angles C4'-P-C4' energy: -191.207
flat angles P-C4'-P energy: -81.691
tors. eta vs tors. theta energy: -194.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -2002.692629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.692629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.692629 (E_RNA)
where:
Base-Base interactions energy: -1266.402
where: short stacking energy: -582.298
Base-Backbone interact. energy: -0.947
local terms energy: -735.343432
where:
bonds (distance) C4'-P energy: -154.999
bonds (distance) P-C4' energy: -173.338
flat angles C4'-P-C4' energy: -136.711
flat angles P-C4'-P energy: -97.482
tors. eta vs tors. theta energy: -172.813
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: 9
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -1829.934577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.934577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.934577 (E_RNA)
where:
Base-Base interactions energy: -1169.746
where: short stacking energy: -553.711
Base-Backbone interact. energy: -4.265
local terms energy: -655.924301
where:
bonds (distance) C4'-P energy: -146.293
bonds (distance) P-C4' energy: -150.586
flat angles C4'-P-C4' energy: -145.796
flat angles P-C4'-P energy: -99.667
tors. eta vs tors. theta energy: -113.583
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: 8
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -1215.621716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.621716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.621716 (E_RNA)
where:
Base-Base interactions energy: -644.431
where: short stacking energy: -354.450
Base-Backbone interact. energy: 2.300
local terms energy: -573.490418
where:
bonds (distance) C4'-P energy: -150.726
bonds (distance) P-C4' energy: -174.299
flat angles C4'-P-C4' energy: -142.331
flat angles P-C4'-P energy: -72.479
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: 2
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -977.839638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.839638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.839638 (E_RNA)
where:
Base-Base interactions energy: -504.077
where: short stacking energy: -288.925
Base-Backbone interact. energy: 4.500
local terms energy: -478.263422
where:
bonds (distance) C4'-P energy: -138.836
bonds (distance) P-C4' energy: -144.366
flat angles C4'-P-C4' energy: -114.611
flat angles P-C4'-P energy: -67.146
tors. eta vs tors. theta energy: -13.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -898.885121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.885121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.885121 (E_RNA)
where:
Base-Base interactions energy: -418.802
where: short stacking energy: -230.249
Base-Backbone interact. energy: -2.677
local terms energy: -477.405829
where:
bonds (distance) C4'-P energy: -134.468
bonds (distance) P-C4' energy: -143.383
flat angles C4'-P-C4' energy: -103.621
flat angles P-C4'-P energy: -85.092
tors. eta vs tors. theta energy: -10.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -3059.304851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3059.304851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3059.304851 (E_RNA)
where:
Base-Base interactions energy: -2118.005
where: short stacking energy: -882.048
Base-Backbone interact. energy: -4.600
local terms energy: -936.700697
where:
bonds (distance) C4'-P energy: -177.609
bonds (distance) P-C4' energy: -161.513
flat angles C4'-P-C4' energy: -209.281
flat angles P-C4'-P energy: -138.803
tors. eta vs tors. theta energy: -249.494
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: 10
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -2931.843695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2931.843695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2931.843695 (E_RNA)
where:
Base-Base interactions energy: -2020.368
where: short stacking energy: -865.042
Base-Backbone interact. energy: -5.622
local terms energy: -905.853621
where:
bonds (distance) C4'-P energy: -162.980
bonds (distance) P-C4' energy: -175.866
flat angles C4'-P-C4' energy: -194.701
flat angles P-C4'-P energy: -121.169
tors. eta vs tors. theta energy: -251.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -2720.605321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2720.605321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2720.605321 (E_RNA)
where:
Base-Base interactions energy: -1872.241
where: short stacking energy: -753.127
Base-Backbone interact. energy: -0.352
local terms energy: -848.012680
where:
bonds (distance) C4'-P energy: -160.498
bonds (distance) P-C4' energy: -179.025
flat angles C4'-P-C4' energy: -184.214
flat angles P-C4'-P energy: -109.007
tors. eta vs tors. theta energy: -215.268
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: 6
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -2575.800253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2575.800253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2575.800253 (E_RNA)
where:
Base-Base interactions energy: -1745.986
where: short stacking energy: -758.743
Base-Backbone interact. energy: -0.388
local terms energy: -829.426855
where:
bonds (distance) C4'-P energy: -149.223
bonds (distance) P-C4' energy: -159.167
flat angles C4'-P-C4' energy: -179.232
flat angles P-C4'-P energy: -119.495
tors. eta vs tors. theta energy: -222.310
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: 5, replica: 1
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -2385.000491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2385.000491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2385.000491 (E_RNA)
where:
Base-Base interactions energy: -1600.054
where: short stacking energy: -689.786
Base-Backbone interact. energy: -0.878
local terms energy: -784.068087
where:
bonds (distance) C4'-P energy: -171.430
bonds (distance) P-C4' energy: -133.046
flat angles C4'-P-C4' energy: -186.717
flat angles P-C4'-P energy: -103.466
tors. eta vs tors. theta energy: -189.408
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: 5
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -1987.148936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.148936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.148936 (E_RNA)
where:
Base-Base interactions energy: -1283.061
where: short stacking energy: -572.112
Base-Backbone interact. energy: -4.366
local terms energy: -699.721483
where:
bonds (distance) C4'-P energy: -144.933
bonds (distance) P-C4' energy: -159.430
flat angles C4'-P-C4' energy: -149.696
flat angles P-C4'-P energy: -109.780
tors. eta vs tors. theta energy: -135.883
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: 9
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -1903.871170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.871170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.871170 (E_RNA)
where:
Base-Base interactions energy: -1211.645
where: short stacking energy: -533.089
Base-Backbone interact. energy: -1.272
local terms energy: -690.954317
where:
bonds (distance) C4'-P energy: -147.171
bonds (distance) P-C4' energy: -177.028
flat angles C4'-P-C4' energy: -145.121
flat angles P-C4'-P energy: -104.005
tors. eta vs tors. theta energy: -117.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -1215.215528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.215528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.215528 (E_RNA)
where:
Base-Base interactions energy: -635.434
where: short stacking energy: -337.015
Base-Backbone interact. energy: -2.070
local terms energy: -577.711845
where:
bonds (distance) C4'-P energy: -147.855
bonds (distance) P-C4' energy: -148.123
flat angles C4'-P-C4' energy: -151.769
flat angles P-C4'-P energy: -102.085
tors. eta vs tors. theta energy: -27.880
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: 9, replica: 2
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -996.568013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.568013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.568013 (E_RNA)
where:
Base-Base interactions energy: -466.405
where: short stacking energy: -259.621
Base-Backbone interact. energy: -3.339
local terms energy: -526.824339
where:
bonds (distance) C4'-P energy: -127.538
bonds (distance) P-C4' energy: -164.844
flat angles C4'-P-C4' energy: -124.050
flat angles P-C4'-P energy: -96.127
tors. eta vs tors. theta energy: -14.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -864.301492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.301492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.301492 (E_RNA)
where:
Base-Base interactions energy: -424.157
where: short stacking energy: -241.923
Base-Backbone interact. energy: -3.188
local terms energy: -436.956636
where:
bonds (distance) C4'-P energy: -134.531
bonds (distance) P-C4' energy: -149.513
flat angles C4'-P-C4' energy: -110.011
flat angles P-C4'-P energy: -61.319
tors. eta vs tors. theta energy: 18.417
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: 7
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -3081.016266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3081.016266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3081.016266 (E_RNA)
where:
Base-Base interactions energy: -2115.371
where: short stacking energy: -870.407
Base-Backbone interact. energy: -5.365
local terms energy: -960.280521
where:
bonds (distance) C4'-P energy: -185.294
bonds (distance) P-C4' energy: -188.538
flat angles C4'-P-C4' energy: -206.554
flat angles P-C4'-P energy: -123.479
tors. eta vs tors. theta energy: -256.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -2905.958434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2905.958434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2905.958434 (E_RNA)
where:
Base-Base interactions energy: -1967.246
where: short stacking energy: -840.648
Base-Backbone interact. energy: -7.050
local terms energy: -931.662550
where:
bonds (distance) C4'-P energy: -183.078
bonds (distance) P-C4' energy: -178.535
flat angles C4'-P-C4' energy: -196.684
flat angles P-C4'-P energy: -131.024
tors. eta vs tors. theta energy: -242.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -2710.775023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2710.775023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2710.775023 (E_RNA)
where:
Base-Base interactions energy: -1844.955
where: short stacking energy: -739.156
Base-Backbone interact. energy: -3.487
local terms energy: -862.332783
where:
bonds (distance) C4'-P energy: -164.263
bonds (distance) P-C4' energy: -176.256
flat angles C4'-P-C4' energy: -186.134
flat angles P-C4'-P energy: -124.436
tors. eta vs tors. theta energy: -211.244
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: 6
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -2593.970186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2593.970186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2593.970186 (E_RNA)
where:
Base-Base interactions energy: -1765.016
where: short stacking energy: -726.384
Base-Backbone interact. energy: -4.523
local terms energy: -824.431416
where:
bonds (distance) C4'-P energy: -170.556
bonds (distance) P-C4' energy: -152.982
flat angles C4'-P-C4' energy: -174.700
flat angles P-C4'-P energy: -112.872
tors. eta vs tors. theta energy: -213.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -2420.099842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2420.099842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2420.099842 (E_RNA)
where:
Base-Base interactions energy: -1622.366
where: short stacking energy: -694.849
Base-Backbone interact. energy: -2.613
local terms energy: -795.120295
where:
bonds (distance) C4'-P energy: -150.616
bonds (distance) P-C4' energy: -153.780
flat angles C4'-P-C4' energy: -183.463
flat angles P-C4'-P energy: -126.766
tors. eta vs tors. theta energy: -180.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -1934.088855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.088855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.088855 (E_RNA)
where:
Base-Base interactions energy: -1222.003
where: short stacking energy: -525.460
Base-Backbone interact. energy: -4.474
local terms energy: -707.612343
where:
bonds (distance) C4'-P energy: -138.282
bonds (distance) P-C4' energy: -157.458
flat angles C4'-P-C4' energy: -159.800
flat angles P-C4'-P energy: -112.507
tors. eta vs tors. theta energy: -139.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -1771.835461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.835461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.835461 (E_RNA)
where:
Base-Base interactions energy: -1140.495
where: short stacking energy: -488.875
Base-Backbone interact. energy: 2.352
local terms energy: -633.692517
where:
bonds (distance) C4'-P energy: -149.945
bonds (distance) P-C4' energy: -164.194
flat angles C4'-P-C4' energy: -146.109
flat angles P-C4'-P energy: -83.916
tors. eta vs tors. theta energy: -89.529
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: 8
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -1247.081455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.081455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.081455 (E_RNA)
where:
Base-Base interactions energy: -678.211
where: short stacking energy: -336.647
Base-Backbone interact. energy: 1.011
local terms energy: -569.880738
where:
bonds (distance) C4'-P energy: -128.687
bonds (distance) P-C4' energy: -158.166
flat angles C4'-P-C4' energy: -148.032
flat angles P-C4'-P energy: -94.683
tors. eta vs tors. theta energy: -40.313
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: 282
Temperature: 1.300000
Total energy: -949.159861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.159861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.159861 (E_RNA)
where:
Base-Base interactions energy: -461.146
where: short stacking energy: -265.144
Base-Backbone interact. energy: -3.763
local terms energy: -484.250187
where:
bonds (distance) C4'-P energy: -132.102
bonds (distance) P-C4' energy: -144.662
flat angles C4'-P-C4' energy: -127.407
flat angles P-C4'-P energy: -78.958
tors. eta vs tors. theta energy: -1.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -862.363757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.363757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.363757 (E_RNA)
where:
Base-Base interactions energy: -395.153
where: short stacking energy: -234.443
Base-Backbone interact. energy: 2.691
local terms energy: -469.901139
where:
bonds (distance) C4'-P energy: -131.544
bonds (distance) P-C4' energy: -166.286
flat angles C4'-P-C4' energy: -124.535
flat angles P-C4'-P energy: -68.492
tors. eta vs tors. theta energy: 20.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -3035.045840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3035.045840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3035.045840 (E_RNA)
where:
Base-Base interactions energy: -2082.487
where: short stacking energy: -851.619
Base-Backbone interact. energy: -3.823
local terms energy: -948.736439
where:
bonds (distance) C4'-P energy: -170.580
bonds (distance) P-C4' energy: -197.238
flat angles C4'-P-C4' energy: -189.682
flat angles P-C4'-P energy: -137.111
tors. eta vs tors. theta energy: -254.126
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: 10
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -2935.857712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2935.857712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2935.857712 (E_RNA)
where:
Base-Base interactions energy: -2011.381
where: short stacking energy: -828.897
Base-Backbone interact. energy: -5.774
local terms energy: -918.702365
where:
bonds (distance) C4'-P energy: -172.020
bonds (distance) P-C4' energy: -170.903
flat angles C4'-P-C4' energy: -192.124
flat angles P-C4'-P energy: -121.291
tors. eta vs tors. theta energy: -262.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -2661.529960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2661.529960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2661.529960 (E_RNA)
where:
Base-Base interactions energy: -1828.323
where: short stacking energy: -764.090
Base-Backbone interact. energy: -7.075
local terms energy: -826.132215
where:
bonds (distance) C4'-P energy: -157.023
bonds (distance) P-C4' energy: -170.250
flat angles C4'-P-C4' energy: -160.794
flat angles P-C4'-P energy: -123.904
tors. eta vs tors. theta energy: -214.162
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: 6
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -2583.928861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2583.928861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.928861 (E_RNA)
where:
Base-Base interactions energy: -1741.707
where: short stacking energy: -749.497
Base-Backbone interact. energy: -5.530
local terms energy: -836.691813
where:
bonds (distance) C4'-P energy: -159.543
bonds (distance) P-C4' energy: -157.200
flat angles C4'-P-C4' energy: -188.530
flat angles P-C4'-P energy: -110.855
tors. eta vs tors. theta energy: -220.563
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: 1
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -2488.992669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2488.992669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2488.992669 (E_RNA)
where:
Base-Base interactions energy: -1691.099
where: short stacking energy: -714.801
Base-Backbone interact. energy: -4.282
local terms energy: -793.611704
where:
bonds (distance) C4'-P energy: -137.373
bonds (distance) P-C4' energy: -158.248
flat angles C4'-P-C4' energy: -173.958
flat angles P-C4'-P energy: -117.146
tors. eta vs tors. theta energy: -206.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -1826.610144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.610144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.610144 (E_RNA)
where:
Base-Base interactions energy: -1105.208
where: short stacking energy: -518.595
Base-Backbone interact. energy: 2.561
local terms energy: -724.169047
where:
bonds (distance) C4'-P energy: -154.968
bonds (distance) P-C4' energy: -169.806
flat angles C4'-P-C4' energy: -169.299
flat angles P-C4'-P energy: -113.639
tors. eta vs tors. theta energy: -116.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.207 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -1776.471382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.471382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.471382 (E_RNA)
where:
Base-Base interactions energy: -1114.161
where: short stacking energy: -493.559
Base-Backbone interact. energy: -2.602
local terms energy: -659.708529
where:
bonds (distance) C4'-P energy: -153.841
bonds (distance) P-C4' energy: -167.409
flat angles C4'-P-C4' energy: -142.565
flat angles P-C4'-P energy: -93.182
tors. eta vs tors. theta energy: -102.711
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: 8, replica: 8
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -1210.179559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.179559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.179559 (E_RNA)
where:
Base-Base interactions energy: -632.072
where: short stacking energy: -342.377
Base-Backbone interact. energy: -0.981
local terms energy: -577.126624
where:
bonds (distance) C4'-P energy: -125.158
bonds (distance) P-C4' energy: -158.054
flat angles C4'-P-C4' energy: -145.417
flat angles P-C4'-P energy: -91.826
tors. eta vs tors. theta energy: -56.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -991.574031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.574031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.574031 (E_RNA)
where:
Base-Base interactions energy: -466.206
where: short stacking energy: -275.929
Base-Backbone interact. energy: -2.182
local terms energy: -523.186423
where:
bonds (distance) C4'-P energy: -155.883
bonds (distance) P-C4' energy: -156.930
flat angles C4'-P-C4' energy: -118.810
flat angles P-C4'-P energy: -84.942
tors. eta vs tors. theta energy: -6.621
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: 10, replica: 4
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -827.327848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.327848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.327848 (E_RNA)
where:
Base-Base interactions energy: -346.688
where: short stacking energy: -216.191
Base-Backbone interact. energy: -0.872
local terms energy: -479.767731
where:
bonds (distance) C4'-P energy: -138.932
bonds (distance) P-C4' energy: -161.810
flat angles C4'-P-C4' energy: -110.635
flat angles P-C4'-P energy: -83.994
tors. eta vs tors. theta energy: 15.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -3037.028485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3037.028485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3037.028485 (E_RNA)
where:
Base-Base interactions energy: -2087.941
where: short stacking energy: -865.551
Base-Backbone interact. energy: 0.036
local terms energy: -949.123055
where:
bonds (distance) C4'-P energy: -184.795
bonds (distance) P-C4' energy: -180.010
flat angles C4'-P-C4' energy: -207.627
flat angles P-C4'-P energy: -124.765
tors. eta vs tors. theta energy: -251.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -2937.751580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2937.751580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2937.751580 (E_RNA)
where:
Base-Base interactions energy: -2009.916
where: short stacking energy: -850.729
Base-Backbone interact. energy: -3.798
local terms energy: -924.037874
where:
bonds (distance) C4'-P energy: -165.302
bonds (distance) P-C4' energy: -186.095
flat angles C4'-P-C4' energy: -181.744
flat angles P-C4'-P energy: -136.368
tors. eta vs tors. theta energy: -254.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -2704.281231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2704.281231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2704.281231 (E_RNA)
where:
Base-Base interactions energy: -1854.264
where: short stacking energy: -736.044
Base-Backbone interact. energy: -3.798
local terms energy: -846.219337
where:
bonds (distance) C4'-P energy: -168.889
bonds (distance) P-C4' energy: -165.309
flat angles C4'-P-C4' energy: -187.957
flat angles P-C4'-P energy: -120.476
tors. eta vs tors. theta energy: -203.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -2567.048637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2567.048637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2567.048637 (E_RNA)
where:
Base-Base interactions energy: -1730.765
where: short stacking energy: -737.501
Base-Backbone interact. energy: -1.155
local terms energy: -835.127997
where:
bonds (distance) C4'-P energy: -149.599
bonds (distance) P-C4' energy: -162.934
flat angles C4'-P-C4' energy: -183.262
flat angles P-C4'-P energy: -111.576
tors. eta vs tors. theta energy: -227.757
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: 1
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -2369.720247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2369.720247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2369.720247 (E_RNA)
where:
Base-Base interactions energy: -1569.858
where: short stacking energy: -635.741
Base-Backbone interact. energy: -1.266
local terms energy: -798.596459
where:
bonds (distance) C4'-P energy: -153.874
bonds (distance) P-C4' energy: -155.404
flat angles C4'-P-C4' energy: -183.595
flat angles P-C4'-P energy: -124.033
tors. eta vs tors. theta energy: -181.691
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: 5
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -1855.373195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.373195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.373195 (E_RNA)
where:
Base-Base interactions energy: -1150.272
where: short stacking energy: -539.298
Base-Backbone interact. energy: -0.037
local terms energy: -705.064981
where:
bonds (distance) C4'-P energy: -141.541
bonds (distance) P-C4' energy: -166.446
flat angles C4'-P-C4' energy: -152.406
flat angles P-C4'-P energy: -114.434
tors. eta vs tors. theta energy: -130.238
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: 9
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -1797.615270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.615270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.615270 (E_RNA)
where:
Base-Base interactions energy: -1149.300
where: short stacking energy: -537.910
Base-Backbone interact. energy: 3.013
local terms energy: -651.327870
where:
bonds (distance) C4'-P energy: -141.404
bonds (distance) P-C4' energy: -140.238
flat angles C4'-P-C4' energy: -136.734
flat angles P-C4'-P energy: -95.509
tors. eta vs tors. theta energy: -137.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -1275.932329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.932329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.932329 (E_RNA)
where:
Base-Base interactions energy: -688.971
where: short stacking energy: -393.938
Base-Backbone interact. energy: -1.280
local terms energy: -585.681907
where:
bonds (distance) C4'-P energy: -157.353
bonds (distance) P-C4' energy: -163.176
flat angles C4'-P-C4' energy: -147.686
flat angles P-C4'-P energy: -68.246
tors. eta vs tors. theta energy: -49.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -973.112807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.112807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.112807 (E_RNA)
where:
Base-Base interactions energy: -468.634
where: short stacking energy: -272.091
Base-Backbone interact. energy: -1.323
local terms energy: -503.155123
where:
bonds (distance) C4'-P energy: -138.434
bonds (distance) P-C4' energy: -156.270
flat angles C4'-P-C4' energy: -119.561
flat angles P-C4'-P energy: -87.776
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: 10, replica: 4
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -840.018139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.018139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.018139 (E_RNA)
where:
Base-Base interactions energy: -365.460
where: short stacking energy: -235.454
Base-Backbone interact. energy: -1.977
local terms energy: -472.581080
where:
bonds (distance) C4'-P energy: -128.600
bonds (distance) P-C4' energy: -161.088
flat angles C4'-P-C4' energy: -113.244
flat angles P-C4'-P energy: -76.922
tors. eta vs tors. theta energy: 7.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -3069.230446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3069.230446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3069.230446 (E_RNA)
where:
Base-Base interactions energy: -2116.726
where: short stacking energy: -873.074
Base-Backbone interact. energy: -3.076
local terms energy: -949.428729
where:
bonds (distance) C4'-P energy: -180.139
bonds (distance) P-C4' energy: -185.592
flat angles C4'-P-C4' energy: -199.636
flat angles P-C4'-P energy: -131.384
tors. eta vs tors. theta energy: -252.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -2889.975552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2889.975552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2889.975552 (E_RNA)
where:
Base-Base interactions energy: -1967.106
where: short stacking energy: -804.168
Base-Backbone interact. energy: -6.564
local terms energy: -916.305514
where:
bonds (distance) C4'-P energy: -162.646
bonds (distance) P-C4' energy: -174.817
flat angles C4'-P-C4' energy: -207.300
flat angles P-C4'-P energy: -126.981
tors. eta vs tors. theta energy: -244.562
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: 3
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -2677.427739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2677.427739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2677.427739 (E_RNA)
where:
Base-Base interactions energy: -1856.844
where: short stacking energy: -743.547
Base-Backbone interact. energy: -0.513
local terms energy: -820.070854
where:
bonds (distance) C4'-P energy: -145.831
bonds (distance) P-C4' energy: -157.667
flat angles C4'-P-C4' energy: -188.976
flat angles P-C4'-P energy: -127.407
tors. eta vs tors. theta energy: -200.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -2551.763571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2551.763571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2551.763571 (E_RNA)
where:
Base-Base interactions energy: -1722.403
where: short stacking energy: -723.507
Base-Backbone interact. energy: 1.220
local terms energy: -830.580973
where:
bonds (distance) C4'-P energy: -164.489
bonds (distance) P-C4' energy: -159.244
flat angles C4'-P-C4' energy: -190.482
flat angles P-C4'-P energy: -115.707
tors. eta vs tors. theta energy: -200.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -2344.064604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2344.064604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2344.064604 (E_RNA)
where:
Base-Base interactions energy: -1581.521
where: short stacking energy: -663.892
Base-Backbone interact. energy: 1.646
local terms energy: -764.189641
where:
bonds (distance) C4'-P energy: -151.106
bonds (distance) P-C4' energy: -163.954
flat angles C4'-P-C4' energy: -178.913
flat angles P-C4'-P energy: -96.862
tors. eta vs tors. theta energy: -173.354
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: 5
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -1784.938810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.938810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.938810 (E_RNA)
where:
Base-Base interactions energy: -1100.089
where: short stacking energy: -554.117
Base-Backbone interact. energy: 0.090
local terms energy: -684.940253
where:
bonds (distance) C4'-P energy: -142.944
bonds (distance) P-C4' energy: -136.181
flat angles C4'-P-C4' energy: -176.595
flat angles P-C4'-P energy: -89.950
tors. eta vs tors. theta energy: -139.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -1813.210877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.210877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.210877 (E_RNA)
where:
Base-Base interactions energy: -1149.200
where: short stacking energy: -501.134
Base-Backbone interact. energy: -2.482
local terms energy: -661.528802
where:
bonds (distance) C4'-P energy: -114.720
bonds (distance) P-C4' energy: -166.297
flat angles C4'-P-C4' energy: -167.277
flat angles P-C4'-P energy: -98.771
tors. eta vs tors. theta energy: -114.463
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: 8
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -1299.592608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.592608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.592608 (E_RNA)
where:
Base-Base interactions energy: -745.268
where: short stacking energy: -383.799
Base-Backbone interact. energy: -5.125
local terms energy: -549.199174
where:
bonds (distance) C4'-P energy: -148.424
bonds (distance) P-C4' energy: -141.149
flat angles C4'-P-C4' energy: -126.746
flat angles P-C4'-P energy: -93.370
tors. eta vs tors. theta energy: -39.510
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: 2
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -945.443542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.443542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.443542 (E_RNA)
where:
Base-Base interactions energy: -458.877
where: short stacking energy: -252.613
Base-Backbone interact. energy: -2.680
local terms energy: -483.886929
where:
bonds (distance) C4'-P energy: -131.851
bonds (distance) P-C4' energy: -172.909
flat angles C4'-P-C4' energy: -119.284
flat angles P-C4'-P energy: -49.741
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: 4
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -820.163563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.163563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.163563 (E_RNA)
where:
Base-Base interactions energy: -369.010
where: short stacking energy: -213.573
Base-Backbone interact. energy: 0.465
local terms energy: -451.617946
where:
bonds (distance) C4'-P energy: -139.015
bonds (distance) P-C4' energy: -139.688
flat angles C4'-P-C4' energy: -141.565
flat angles P-C4'-P energy: -61.107
tors. eta vs tors. theta energy: 29.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -3053.431377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3053.431377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3053.431377 (E_RNA)
where:
Base-Base interactions energy: -2129.015
where: short stacking energy: -863.543
Base-Backbone interact. energy: -4.419
local terms energy: -919.998040
where:
bonds (distance) C4'-P energy: -157.260
bonds (distance) P-C4' energy: -179.314
flat angles C4'-P-C4' energy: -194.215
flat angles P-C4'-P energy: -133.038
tors. eta vs tors. theta energy: -256.171
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: 10
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -2900.439412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2900.439412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2900.439412 (E_RNA)
where:
Base-Base interactions energy: -1978.268
where: short stacking energy: -854.297
Base-Backbone interact. energy: -4.545
local terms energy: -917.626010
where:
bonds (distance) C4'-P energy: -169.468
bonds (distance) P-C4' energy: -164.202
flat angles C4'-P-C4' energy: -176.179
flat angles P-C4'-P energy: -137.588
tors. eta vs tors. theta energy: -270.190
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: 3
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -2697.498357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2697.498357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2697.498357 (E_RNA)
where:
Base-Base interactions energy: -1870.608
where: short stacking energy: -750.588
Base-Backbone interact. energy: 4.989
local terms energy: -831.878783
where:
bonds (distance) C4'-P energy: -160.798
bonds (distance) P-C4' energy: -173.824
flat angles C4'-P-C4' energy: -170.491
flat angles P-C4'-P energy: -127.806
tors. eta vs tors. theta energy: -198.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -2534.046669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2534.046669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2534.046669 (E_RNA)
where:
Base-Base interactions energy: -1684.333
where: short stacking energy: -710.203
Base-Backbone interact. energy: 3.740
local terms energy: -853.453868
where:
bonds (distance) C4'-P energy: -174.191
bonds (distance) P-C4' energy: -159.467
flat angles C4'-P-C4' energy: -190.843
flat angles P-C4'-P energy: -114.569
tors. eta vs tors. theta energy: -214.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -2403.831536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2403.831536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2403.831536 (E_RNA)
where:
Base-Base interactions energy: -1613.384
where: short stacking energy: -670.840
Base-Backbone interact. energy: 1.611
local terms energy: -792.058767
where:
bonds (distance) C4'-P energy: -163.086
bonds (distance) P-C4' energy: -165.808
flat angles C4'-P-C4' energy: -194.202
flat angles P-C4'-P energy: -111.747
tors. eta vs tors. theta energy: -157.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -1799.595067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.595067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.595067 (E_RNA)
where:
Base-Base interactions energy: -1126.806
where: short stacking energy: -545.947
Base-Backbone interact. energy: 3.944
local terms energy: -676.733083
where:
bonds (distance) C4'-P energy: -130.147
bonds (distance) P-C4' energy: -153.477
flat angles C4'-P-C4' energy: -160.036
flat angles P-C4'-P energy: -105.455
tors. eta vs tors. theta energy: -127.618
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: 9
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -1728.164923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.164923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.164923 (E_RNA)
where:
Base-Base interactions energy: -1091.545
where: short stacking energy: -532.519
Base-Backbone interact. energy: -2.728
local terms energy: -633.892466
where:
bonds (distance) C4'-P energy: -123.928
bonds (distance) P-C4' energy: -146.424
flat angles C4'-P-C4' energy: -157.833
flat angles P-C4'-P energy: -105.047
tors. eta vs tors. theta energy: -100.661
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: 8
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -1286.804374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.804374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.804374 (E_RNA)
where:
Base-Base interactions energy: -702.292
where: short stacking energy: -358.567
Base-Backbone interact. energy: -4.357
local terms energy: -580.154998
where:
bonds (distance) C4'-P energy: -145.317
bonds (distance) P-C4' energy: -145.035
flat angles C4'-P-C4' energy: -142.577
flat angles P-C4'-P energy: -92.064
tors. eta vs tors. theta energy: -55.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -983.021185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.021185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.021185 (E_RNA)
where:
Base-Base interactions energy: -490.121
where: short stacking energy: -268.658
Base-Backbone interact. energy: 9.263
local terms energy: -502.163264
where:
bonds (distance) C4'-P energy: -146.721
bonds (distance) P-C4' energy: -163.600
flat angles C4'-P-C4' energy: -118.157
flat angles P-C4'-P energy: -73.821
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: 10, replica: 4
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -814.074304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.074304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.074304 (E_RNA)
where:
Base-Base interactions energy: -350.986
where: short stacking energy: -203.027
Base-Backbone interact. energy: 4.615
local terms energy: -467.703162
where:
bonds (distance) C4'-P energy: -134.095
bonds (distance) P-C4' energy: -165.394
flat angles C4'-P-C4' energy: -125.638
flat angles P-C4'-P energy: -63.206
tors. eta vs tors. theta energy: 20.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -3040.105473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3040.105473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3040.105473 (E_RNA)
where:
Base-Base interactions energy: -2066.511
where: short stacking energy: -853.960
Base-Backbone interact. energy: -0.778
local terms energy: -972.816148
where:
bonds (distance) C4'-P energy: -174.462
bonds (distance) P-C4' energy: -202.675
flat angles C4'-P-C4' energy: -205.077
flat angles P-C4'-P energy: -136.954
tors. eta vs tors. theta energy: -253.648
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: 10
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -2859.568130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2859.568130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2859.568130 (E_RNA)
where:
Base-Base interactions energy: -1957.291
where: short stacking energy: -821.404
Base-Backbone interact. energy: -2.519
local terms energy: -899.757471
where:
bonds (distance) C4'-P energy: -159.524
bonds (distance) P-C4' energy: -172.871
flat angles C4'-P-C4' energy: -189.659
flat angles P-C4'-P energy: -126.697
tors. eta vs tors. theta energy: -251.006
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: 3, replica: 3
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -2710.509579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2710.509579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2710.509579 (E_RNA)
where:
Base-Base interactions energy: -1875.436
where: short stacking energy: -738.343
Base-Backbone interact. energy: 4.570
local terms energy: -839.644313
where:
bonds (distance) C4'-P energy: -177.064
bonds (distance) P-C4' energy: -168.058
flat angles C4'-P-C4' energy: -180.342
flat angles P-C4'-P energy: -103.819
tors. eta vs tors. theta energy: -210.362
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: 6
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -2611.607453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2611.607453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2611.607453 (E_RNA)
where:
Base-Base interactions energy: -1766.074
where: short stacking energy: -755.964
Base-Backbone interact. energy: -6.158
local terms energy: -839.375101
where:
bonds (distance) C4'-P energy: -147.652
bonds (distance) P-C4' energy: -165.497
flat angles C4'-P-C4' energy: -192.725
flat angles P-C4'-P energy: -116.768
tors. eta vs tors. theta energy: -216.733
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: 5, replica: 1
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -2382.997651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2382.997651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2382.997651 (E_RNA)
where:
Base-Base interactions energy: -1608.464
where: short stacking energy: -681.884
Base-Backbone interact. energy: 1.688
local terms energy: -776.220840
where:
bonds (distance) C4'-P energy: -139.145
bonds (distance) P-C4' energy: -169.517
flat angles C4'-P-C4' energy: -171.058
flat angles P-C4'-P energy: -118.694
tors. eta vs tors. theta energy: -177.806
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: 5
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -1829.800577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.800577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.800577 (E_RNA)
where:
Base-Base interactions energy: -1118.478
where: short stacking energy: -522.956
Base-Backbone interact. energy: -1.439
local terms energy: -709.883611
where:
bonds (distance) C4'-P energy: -163.632
bonds (distance) P-C4' energy: -164.615
flat angles C4'-P-C4' energy: -160.973
flat angles P-C4'-P energy: -81.147
tors. eta vs tors. theta energy: -139.517
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: 9
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -1761.985244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.985244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.985244 (E_RNA)
where:
Base-Base interactions energy: -1101.806
where: short stacking energy: -518.771
Base-Backbone interact. energy: 4.221
local terms energy: -664.400624
where:
bonds (distance) C4'-P energy: -148.995
bonds (distance) P-C4' energy: -179.549
flat angles C4'-P-C4' energy: -148.022
flat angles P-C4'-P energy: -73.459
tors. eta vs tors. theta energy: -114.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -1266.420722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.420722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.420722 (E_RNA)
where:
Base-Base interactions energy: -722.681
where: short stacking energy: -362.711
Base-Backbone interact. energy: 0.261
local terms energy: -544.000312
where:
bonds (distance) C4'-P energy: -135.364
bonds (distance) P-C4' energy: -147.453
flat angles C4'-P-C4' energy: -139.410
flat angles P-C4'-P energy: -79.248
tors. eta vs tors. theta energy: -42.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -943.075841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.075841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.075841 (E_RNA)
where:
Base-Base interactions energy: -451.262
where: short stacking energy: -268.306
Base-Backbone interact. energy: 3.925
local terms energy: -495.738767
where:
bonds (distance) C4'-P energy: -140.645
bonds (distance) P-C4' energy: -146.304
flat angles C4'-P-C4' energy: -107.966
flat angles P-C4'-P energy: -78.468
tors. eta vs tors. theta energy: -22.355
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: 4
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -807.146071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.146071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.146071 (E_RNA)
where:
Base-Base interactions energy: -380.763
where: short stacking energy: -239.022
Base-Backbone interact. energy: -1.689
local terms energy: -424.693783
where:
bonds (distance) C4'-P energy: -130.949
bonds (distance) P-C4' energy: -126.390
flat angles C4'-P-C4' energy: -128.591
flat angles P-C4'-P energy: -55.414
tors. eta vs tors. theta energy: 16.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -3037.729616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3037.729616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3037.729616 (E_RNA)
where:
Base-Base interactions energy: -2101.156
where: short stacking energy: -858.046
Base-Backbone interact. energy: 1.129
local terms energy: -937.702397
where:
bonds (distance) C4'-P energy: -183.370
bonds (distance) P-C4' energy: -168.193
flat angles C4'-P-C4' energy: -194.947
flat angles P-C4'-P energy: -139.759
tors. eta vs tors. theta energy: -251.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -2859.414704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2859.414704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2859.414704 (E_RNA)
where:
Base-Base interactions energy: -1957.544
where: short stacking energy: -818.161
Base-Backbone interact. energy: -0.713
local terms energy: -901.157756
where:
bonds (distance) C4'-P energy: -157.323
bonds (distance) P-C4' energy: -187.111
flat angles C4'-P-C4' energy: -186.321
flat angles P-C4'-P energy: -122.316
tors. eta vs tors. theta energy: -248.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -2736.385318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2736.385318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2736.385318 (E_RNA)
where:
Base-Base interactions energy: -1867.421
where: short stacking energy: -757.618
Base-Backbone interact. energy: -0.463
local terms energy: -868.501134
where:
bonds (distance) C4'-P energy: -168.242
bonds (distance) P-C4' energy: -174.706
flat angles C4'-P-C4' energy: -188.166
flat angles P-C4'-P energy: -110.274
tors. eta vs tors. theta energy: -227.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -2598.893576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2598.893576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2598.893576 (E_RNA)
where:
Base-Base interactions energy: -1785.711
where: short stacking energy: -723.349
Base-Backbone interact. energy: -1.795
local terms energy: -811.387830
where:
bonds (distance) C4'-P energy: -149.051
bonds (distance) P-C4' energy: -153.075
flat angles C4'-P-C4' energy: -182.973
flat angles P-C4'-P energy: -101.625
tors. eta vs tors. theta energy: -224.663
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: 5, replica: 1
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -2324.005039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2324.005039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2324.005039 (E_RNA)
where:
Base-Base interactions energy: -1560.863
where: short stacking energy: -645.748
Base-Backbone interact. energy: -2.920
local terms energy: -760.221799
where:
bonds (distance) C4'-P energy: -153.378
bonds (distance) P-C4' energy: -150.298
flat angles C4'-P-C4' energy: -164.231
flat angles P-C4'-P energy: -111.190
tors. eta vs tors. theta energy: -181.125
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: 5
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -1831.987765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.987765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.987765 (E_RNA)
where:
Base-Base interactions energy: -1121.480
where: short stacking energy: -514.368
Base-Backbone interact. energy: -2.215
local terms energy: -708.292898
where:
bonds (distance) C4'-P energy: -142.225
bonds (distance) P-C4' energy: -147.649
flat angles C4'-P-C4' energy: -169.216
flat angles P-C4'-P energy: -107.653
tors. eta vs tors. theta energy: -141.551
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: 9
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -1766.536721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.536721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.536721 (E_RNA)
where:
Base-Base interactions energy: -1106.238
where: short stacking energy: -510.181
Base-Backbone interact. energy: -2.554
local terms energy: -657.745266
where:
bonds (distance) C4'-P energy: -146.930
bonds (distance) P-C4' energy: -174.373
flat angles C4'-P-C4' energy: -144.322
flat angles P-C4'-P energy: -80.287
tors. eta vs tors. theta energy: -111.833
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: 8
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -1312.505795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.505795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.505795 (E_RNA)
where:
Base-Base interactions energy: -736.443
where: short stacking energy: -360.123
Base-Backbone interact. energy: -0.952
local terms energy: -575.110174
where:
bonds (distance) C4'-P energy: -161.796
bonds (distance) P-C4' energy: -157.930
flat angles C4'-P-C4' energy: -136.577
flat angles P-C4'-P energy: -68.243
tors. eta vs tors. theta energy: -50.564
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: 9, replica: 2
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -943.542268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.542268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.542268 (E_RNA)
where:
Base-Base interactions energy: -453.017
where: short stacking energy: -256.321
Base-Backbone interact. energy: 1.218
local terms energy: -491.743713
where:
bonds (distance) C4'-P energy: -144.917
bonds (distance) P-C4' energy: -157.848
flat angles C4'-P-C4' energy: -127.306
flat angles P-C4'-P energy: -66.030
tors. eta vs tors. theta energy: 4.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -818.914285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.914285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.914285 (E_RNA)
where:
Base-Base interactions energy: -342.560
where: short stacking energy: -199.465
Base-Backbone interact. energy: -1.714
local terms energy: -474.640526
where:
bonds (distance) C4'-P energy: -158.941
bonds (distance) P-C4' energy: -147.549
flat angles C4'-P-C4' energy: -116.948
flat angles P-C4'-P energy: -62.559
tors. eta vs tors. theta energy: 11.356
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: 7
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -3036.347433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3036.347433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3036.347433 (E_RNA)
where:
Base-Base interactions energy: -2103.096
where: short stacking energy: -862.259
Base-Backbone interact. energy: 0.053
local terms energy: -933.305166
where:
bonds (distance) C4'-P energy: -172.254
bonds (distance) P-C4' energy: -183.338
flat angles C4'-P-C4' energy: -197.723
flat angles P-C4'-P energy: -121.139
tors. eta vs tors. theta energy: -258.851
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: 2, replica: 10
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -2856.355051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2856.355051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2856.355051 (E_RNA)
where:
Base-Base interactions energy: -1938.921
where: short stacking energy: -819.694
Base-Backbone interact. energy: -10.283
local terms energy: -907.150924
where:
bonds (distance) C4'-P energy: -173.051
bonds (distance) P-C4' energy: -169.502
flat angles C4'-P-C4' energy: -188.332
flat angles P-C4'-P energy: -128.174
tors. eta vs tors. theta energy: -248.091
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: 3, replica: 3
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -2707.043374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2707.043374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2707.043374 (E_RNA)
where:
Base-Base interactions energy: -1861.236
where: short stacking energy: -745.181
Base-Backbone interact. energy: -2.144
local terms energy: -843.663356
where:
bonds (distance) C4'-P energy: -172.663
bonds (distance) P-C4' energy: -161.565
flat angles C4'-P-C4' energy: -191.225
flat angles P-C4'-P energy: -111.626
tors. eta vs tors. theta energy: -206.584
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: 289
Temperature: 1.050000
Total energy: -2565.813565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2565.813565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2565.813565 (E_RNA)
where:
Base-Base interactions energy: -1738.761
where: short stacking energy: -715.318
Base-Backbone interact. energy: -0.900
local terms energy: -826.152387
where:
bonds (distance) C4'-P energy: -154.800
bonds (distance) P-C4' energy: -163.713
flat angles C4'-P-C4' energy: -191.998
flat angles P-C4'-P energy: -111.355
tors. eta vs tors. theta energy: -204.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -2356.654924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.654924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2356.654924 (E_RNA)
where:
Base-Base interactions energy: -1585.800
where: short stacking energy: -639.852
Base-Backbone interact. energy: -1.468
local terms energy: -769.387183
where:
bonds (distance) C4'-P energy: -130.367
bonds (distance) P-C4' energy: -154.768
flat angles C4'-P-C4' energy: -181.679
flat angles P-C4'-P energy: -118.485
tors. eta vs tors. theta energy: -184.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -1854.252865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.252865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.252865 (E_RNA)
where:
Base-Base interactions energy: -1147.838
where: short stacking energy: -534.190
Base-Backbone interact. energy: -0.383
local terms energy: -706.032318
where:
bonds (distance) C4'-P energy: -158.160
bonds (distance) P-C4' energy: -154.545
flat angles C4'-P-C4' energy: -147.150
flat angles P-C4'-P energy: -110.828
tors. eta vs tors. theta energy: -135.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -1714.392324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.392324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.392324 (E_RNA)
where:
Base-Base interactions energy: -1043.557
where: short stacking energy: -472.170
Base-Backbone interact. energy: -4.665
local terms energy: -666.170498
where:
bonds (distance) C4'-P energy: -168.617
bonds (distance) P-C4' energy: -151.723
flat angles C4'-P-C4' energy: -139.961
flat angles P-C4'-P energy: -97.837
tors. eta vs tors. theta energy: -108.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -1352.281093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.281093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.281093 (E_RNA)
where:
Base-Base interactions energy: -744.108
where: short stacking energy: -384.458
Base-Backbone interact. energy: -0.625
local terms energy: -607.548379
where:
bonds (distance) C4'-P energy: -122.076
bonds (distance) P-C4' energy: -164.934
flat angles C4'-P-C4' energy: -145.773
flat angles P-C4'-P energy: -100.216
tors. eta vs tors. theta energy: -74.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -906.144422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.144422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.144422 (E_RNA)
where:
Base-Base interactions energy: -412.269
where: short stacking energy: -224.240
Base-Backbone interact. energy: -1.105
local terms energy: -492.769953
where:
bonds (distance) C4'-P energy: -142.100
bonds (distance) P-C4' energy: -144.706
flat angles C4'-P-C4' energy: -129.577
flat angles P-C4'-P energy: -92.326
tors. eta vs tors. theta energy: 15.940
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: 4
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -786.002020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.002020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.002020 (E_RNA)
where:
Base-Base interactions energy: -326.706
where: short stacking energy: -193.649
Base-Backbone interact. energy: 3.114
local terms energy: -462.410500
where:
bonds (distance) C4'-P energy: -159.649
bonds (distance) P-C4' energy: -141.053
flat angles C4'-P-C4' energy: -122.499
flat angles P-C4'-P energy: -83.809
tors. eta vs tors. theta energy: 44.599
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: 290
Temperature: 0.900000
Total energy: -3053.306948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3053.306948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3053.306948 (E_RNA)
where:
Base-Base interactions energy: -2122.189
where: short stacking energy: -875.005
Base-Backbone interact. energy: -3.623
local terms energy: -927.495427
where:
bonds (distance) C4'-P energy: -169.443
bonds (distance) P-C4' energy: -170.649
flat angles C4'-P-C4' energy: -189.672
flat angles P-C4'-P energy: -145.246
tors. eta vs tors. theta energy: -252.485
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: 290
Temperature: 0.950000
Total energy: -2932.340802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2932.340802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2932.340802 (E_RNA)
where:
Base-Base interactions energy: -1980.175
where: short stacking energy: -815.921
Base-Backbone interact. energy: -6.246
local terms energy: -945.920173
where:
bonds (distance) C4'-P energy: -166.807
bonds (distance) P-C4' energy: -187.039
flat angles C4'-P-C4' energy: -202.952
flat angles P-C4'-P energy: -135.060
tors. eta vs tors. theta energy: -254.063
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: 290
Temperature: 1.000000
Total energy: -2706.174108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2706.174108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2706.174108 (E_RNA)
where:
Base-Base interactions energy: -1869.379
where: short stacking energy: -743.074
Base-Backbone interact. energy: -4.660
local terms energy: -832.135800
where:
bonds (distance) C4'-P energy: -170.080
bonds (distance) P-C4' energy: -172.973
flat angles C4'-P-C4' energy: -181.587
flat angles P-C4'-P energy: -116.156
tors. eta vs tors. theta energy: -191.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -2566.058969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.058969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2566.058969 (E_RNA)
where:
Base-Base interactions energy: -1727.112
where: short stacking energy: -710.832
Base-Backbone interact. energy: -0.917
local terms energy: -838.030023
where:
bonds (distance) C4'-P energy: -161.572
bonds (distance) P-C4' energy: -168.450
flat angles C4'-P-C4' energy: -181.861
flat angles P-C4'-P energy: -118.291
tors. eta vs tors. theta energy: -207.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -2371.078045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2371.078045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2371.078045 (E_RNA)
where:
Base-Base interactions energy: -1619.751
where: short stacking energy: -645.083
Base-Backbone interact. energy: -1.361
local terms energy: -749.966099
where:
bonds (distance) C4'-P energy: -137.722
bonds (distance) P-C4' energy: -160.545
flat angles C4'-P-C4' energy: -171.206
flat angles P-C4'-P energy: -118.250
tors. eta vs tors. theta energy: -162.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -1799.898700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.898700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.898700 (E_RNA)
where:
Base-Base interactions energy: -1104.790
where: short stacking energy: -521.486
Base-Backbone interact. energy: -2.348
local terms energy: -692.760383
where:
bonds (distance) C4'-P energy: -159.534
bonds (distance) P-C4' energy: -165.950
flat angles C4'-P-C4' energy: -148.021
flat angles P-C4'-P energy: -94.377
tors. eta vs tors. theta energy: -124.880
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: 7, replica: 9
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -1753.378385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.378385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.378385 (E_RNA)
where:
Base-Base interactions energy: -1084.055
where: short stacking energy: -513.860
Base-Backbone interact. energy: -2.528
local terms energy: -666.795665
where:
bonds (distance) C4'-P energy: -133.806
bonds (distance) P-C4' energy: -159.719
flat angles C4'-P-C4' energy: -170.353
flat angles P-C4'-P energy: -82.640
tors. eta vs tors. theta energy: -120.277
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: 8
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -1329.616991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.616991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.616991 (E_RNA)
where:
Base-Base interactions energy: -757.167
where: short stacking energy: -389.702
Base-Backbone interact. energy: 3.788
local terms energy: -576.238197
where:
bonds (distance) C4'-P energy: -135.094
bonds (distance) P-C4' energy: -152.857
flat angles C4'-P-C4' energy: -145.344
flat angles P-C4'-P energy: -86.260
tors. eta vs tors. theta energy: -56.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -931.469605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.469605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.469605 (E_RNA)
where:
Base-Base interactions energy: -458.900
where: short stacking energy: -245.342
Base-Backbone interact. energy: 3.326
local terms energy: -475.894785
where:
bonds (distance) C4'-P energy: -143.683
bonds (distance) P-C4' energy: -142.517
flat angles C4'-P-C4' energy: -122.470
flat angles P-C4'-P energy: -77.523
tors. eta vs tors. theta energy: 10.298
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: 4
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -798.855672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.855672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.855672 (E_RNA)
where:
Base-Base interactions energy: -338.688
where: short stacking energy: -216.173
Base-Backbone interact. energy: 0.163
local terms energy: -460.330800
where:
bonds (distance) C4'-P energy: -145.522
bonds (distance) P-C4' energy: -152.474
flat angles C4'-P-C4' energy: -124.764
flat angles P-C4'-P energy: -78.419
tors. eta vs tors. theta energy: 40.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -3044.461138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3044.461138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3044.461138 (E_RNA)
where:
Base-Base interactions energy: -2101.629
where: short stacking energy: -880.935
Base-Backbone interact. energy: -2.828
local terms energy: -940.003827
where:
bonds (distance) C4'-P energy: -175.736
bonds (distance) P-C4' energy: -154.963
flat angles C4'-P-C4' energy: -200.049
flat angles P-C4'-P energy: -128.098
tors. eta vs tors. theta energy: -281.157
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: 2, replica: 10
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -2916.798489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2916.798489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2916.798489 (E_RNA)
where:
Base-Base interactions energy: -2000.820
where: short stacking energy: -838.704
Base-Backbone interact. energy: -6.824
local terms energy: -909.154471
where:
bonds (distance) C4'-P energy: -163.954
bonds (distance) P-C4' energy: -169.869
flat angles C4'-P-C4' energy: -186.125
flat angles P-C4'-P energy: -130.476
tors. eta vs tors. theta energy: -258.730
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: 3
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -2706.044922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2706.044922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2706.044922 (E_RNA)
where:
Base-Base interactions energy: -1872.223
where: short stacking energy: -761.546
Base-Backbone interact. energy: -4.930
local terms energy: -828.892725
where:
bonds (distance) C4'-P energy: -144.043
bonds (distance) P-C4' energy: -167.694
flat angles C4'-P-C4' energy: -190.108
flat angles P-C4'-P energy: -114.788
tors. eta vs tors. theta energy: -212.260
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: 6
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -2545.246639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2545.246639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2545.246639 (E_RNA)
where:
Base-Base interactions energy: -1699.845
where: short stacking energy: -709.105
Base-Backbone interact. energy: -2.595
local terms energy: -842.806270
where:
bonds (distance) C4'-P energy: -168.545
bonds (distance) P-C4' energy: -158.585
flat angles C4'-P-C4' energy: -195.162
flat angles P-C4'-P energy: -118.620
tors. eta vs tors. theta energy: -201.894
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: 1
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -2398.470154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2398.470154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2398.470154 (E_RNA)
where:
Base-Base interactions energy: -1604.558
where: short stacking energy: -684.781
Base-Backbone interact. energy: 0.682
local terms energy: -794.593246
where:
bonds (distance) C4'-P energy: -154.724
bonds (distance) P-C4' energy: -166.941
flat angles C4'-P-C4' energy: -182.843
flat angles P-C4'-P energy: -95.792
tors. eta vs tors. theta energy: -194.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -1885.154310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.154310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.154310 (E_RNA)
where:
Base-Base interactions energy: -1182.999
where: short stacking energy: -574.433
Base-Backbone interact. energy: -1.675
local terms energy: -700.479902
where:
bonds (distance) C4'-P energy: -170.610
bonds (distance) P-C4' energy: -160.351
flat angles C4'-P-C4' energy: -149.408
flat angles P-C4'-P energy: -98.722
tors. eta vs tors. theta energy: -121.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -1555.418787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.418787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.418787 (E_RNA)
where:
Base-Base interactions energy: -926.888
where: short stacking energy: -446.902
Base-Backbone interact. energy: 4.480
local terms energy: -633.011145
where:
bonds (distance) C4'-P energy: -143.612
bonds (distance) P-C4' energy: -168.789
flat angles C4'-P-C4' energy: -129.291
flat angles P-C4'-P energy: -102.147
tors. eta vs tors. theta energy: -89.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -1296.796725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.796725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.796725 (E_RNA)
where:
Base-Base interactions energy: -716.106
where: short stacking energy: -366.083
Base-Backbone interact. energy: 0.773
local terms energy: -581.463672
where:
bonds (distance) C4'-P energy: -154.501
bonds (distance) P-C4' energy: -166.588
flat angles C4'-P-C4' energy: -146.249
flat angles P-C4'-P energy: -69.506
tors. eta vs tors. theta energy: -44.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -928.186920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.186920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.186920 (E_RNA)
where:
Base-Base interactions energy: -440.000
where: short stacking energy: -249.902
Base-Backbone interact. energy: 5.156
local terms energy: -493.342372
where:
bonds (distance) C4'-P energy: -142.243
bonds (distance) P-C4' energy: -151.950
flat angles C4'-P-C4' energy: -127.390
flat angles P-C4'-P energy: -79.472
tors. eta vs tors. theta energy: 7.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -809.443809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.443809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.443809 (E_RNA)
where:
Base-Base interactions energy: -356.116
where: short stacking energy: -210.522
Base-Backbone interact. energy: 1.909
local terms energy: -455.236930
where:
bonds (distance) C4'-P energy: -131.585
bonds (distance) P-C4' energy: -168.231
flat angles C4'-P-C4' energy: -96.865
flat angles P-C4'-P energy: -78.742
tors. eta vs tors. theta energy: 20.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -3068.567379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3068.567379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3068.567379 (E_RNA)
where:
Base-Base interactions energy: -2110.649
where: short stacking energy: -853.565
Base-Backbone interact. energy: -2.179
local terms energy: -955.739435
where:
bonds (distance) C4'-P energy: -167.075
bonds (distance) P-C4' energy: -178.815
flat angles C4'-P-C4' energy: -204.611
flat angles P-C4'-P energy: -135.352
tors. eta vs tors. theta energy: -269.886
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: 10
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -2913.714981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2913.714981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2913.714981 (E_RNA)
where:
Base-Base interactions energy: -1999.190
where: short stacking energy: -834.114
Base-Backbone interact. energy: -2.942
local terms energy: -911.582836
where:
bonds (distance) C4'-P energy: -167.877
bonds (distance) P-C4' energy: -163.805
flat angles C4'-P-C4' energy: -189.411
flat angles P-C4'-P energy: -133.834
tors. eta vs tors. theta energy: -256.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -2667.028886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2667.028886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2667.028886 (E_RNA)
where:
Base-Base interactions energy: -1800.129
where: short stacking energy: -741.548
Base-Backbone interact. energy: -4.536
local terms energy: -862.364751
where:
bonds (distance) C4'-P energy: -165.117
bonds (distance) P-C4' energy: -176.312
flat angles C4'-P-C4' energy: -175.654
flat angles P-C4'-P energy: -127.018
tors. eta vs tors. theta energy: -218.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -2556.726026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2556.726026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2556.726026 (E_RNA)
where:
Base-Base interactions energy: -1723.348
where: short stacking energy: -726.782
Base-Backbone interact. energy: -0.654
local terms energy: -832.723324
where:
bonds (distance) C4'-P energy: -150.974
bonds (distance) P-C4' energy: -153.135
flat angles C4'-P-C4' energy: -180.937
flat angles P-C4'-P energy: -120.160
tors. eta vs tors. theta energy: -227.516
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: 1
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -2401.190570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2401.190570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2401.190570 (E_RNA)
where:
Base-Base interactions energy: -1636.412
where: short stacking energy: -676.833
Base-Backbone interact. energy: -4.649
local terms energy: -760.129559
where:
bonds (distance) C4'-P energy: -144.409
bonds (distance) P-C4' energy: -151.470
flat angles C4'-P-C4' energy: -172.980
flat angles P-C4'-P energy: -106.535
tors. eta vs tors. theta energy: -184.736
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: 6, replica: 9
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -1904.934093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.934093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.934093 (E_RNA)
where:
Base-Base interactions energy: -1218.371
where: short stacking energy: -540.155
Base-Backbone interact. energy: -4.930
local terms energy: -681.633487
where:
bonds (distance) C4'-P energy: -157.189
bonds (distance) P-C4' energy: -164.779
flat angles C4'-P-C4' energy: -135.204
flat angles P-C4'-P energy: -90.925
tors. eta vs tors. theta energy: -133.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -1619.238141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.238141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.238141 (E_RNA)
where:
Base-Base interactions energy: -1011.888
where: short stacking energy: -474.359
Base-Backbone interact. energy: 0.735
local terms energy: -608.085569
where:
bonds (distance) C4'-P energy: -143.857
bonds (distance) P-C4' energy: -150.447
flat angles C4'-P-C4' energy: -135.943
flat angles P-C4'-P energy: -86.907
tors. eta vs tors. theta energy: -90.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -1292.397580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.397580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.397580 (E_RNA)
where:
Base-Base interactions energy: -692.365
where: short stacking energy: -344.344
Base-Backbone interact. energy: -2.748
local terms energy: -597.284783
where:
bonds (distance) C4'-P energy: -142.697
bonds (distance) P-C4' energy: -175.491
flat angles C4'-P-C4' energy: -132.591
flat angles P-C4'-P energy: -104.989
tors. eta vs tors. theta energy: -41.517
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: 2
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -964.595875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.595875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.595875 (E_RNA)
where:
Base-Base interactions energy: -530.240
where: short stacking energy: -293.869
Base-Backbone interact. energy: 2.784
local terms energy: -437.139834
where:
bonds (distance) C4'-P energy: -128.938
bonds (distance) P-C4' energy: -143.728
flat angles C4'-P-C4' energy: -122.610
flat angles P-C4'-P energy: -53.713
tors. eta vs tors. theta energy: 11.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -782.967595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.967595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.967595 (E_RNA)
where:
Base-Base interactions energy: -343.847
where: short stacking energy: -207.375
Base-Backbone interact. energy: 4.131
local terms energy: -443.250926
where:
bonds (distance) C4'-P energy: -113.013
bonds (distance) P-C4' energy: -166.849
flat angles C4'-P-C4' energy: -109.499
flat angles P-C4'-P energy: -84.602
tors. eta vs tors. theta energy: 30.712
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: 1, replica: 7
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -3059.056692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3059.056692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3059.056692 (E_RNA)
where:
Base-Base interactions energy: -2115.257
where: short stacking energy: -881.209
Base-Backbone interact. energy: -0.379
local terms energy: -943.420393
where:
bonds (distance) C4'-P energy: -182.458
bonds (distance) P-C4' energy: -159.986
flat angles C4'-P-C4' energy: -200.685
flat angles P-C4'-P energy: -133.083
tors. eta vs tors. theta energy: -267.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -2892.102034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2892.102034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2892.102034 (E_RNA)
where:
Base-Base interactions energy: -1955.851
where: short stacking energy: -830.894
Base-Backbone interact. energy: -7.084
local terms energy: -929.167754
where:
bonds (distance) C4'-P energy: -180.024
bonds (distance) P-C4' energy: -171.787
flat angles C4'-P-C4' energy: -193.114
flat angles P-C4'-P energy: -133.239
tors. eta vs tors. theta energy: -251.003
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: 3, replica: 3
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -2681.641617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2681.641617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2681.641617 (E_RNA)
where:
Base-Base interactions energy: -1801.857
where: short stacking energy: -762.431
Base-Backbone interact. energy: -4.370
local terms energy: -875.414509
where:
bonds (distance) C4'-P energy: -157.659
bonds (distance) P-C4' energy: -163.427
flat angles C4'-P-C4' energy: -184.584
flat angles P-C4'-P energy: -141.291
tors. eta vs tors. theta energy: -228.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -2565.953960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2565.953960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2565.953960 (E_RNA)
where:
Base-Base interactions energy: -1735.977
where: short stacking energy: -725.298
Base-Backbone interact. energy: 0.560
local terms energy: -830.537217
where:
bonds (distance) C4'-P energy: -156.011
bonds (distance) P-C4' energy: -166.136
flat angles C4'-P-C4' energy: -178.352
flat angles P-C4'-P energy: -125.118
tors. eta vs tors. theta energy: -204.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -2347.512624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2347.512624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.512624 (E_RNA)
where:
Base-Base interactions energy: -1538.955
where: short stacking energy: -682.466
Base-Backbone interact. energy: -0.441
local terms energy: -808.116025
where:
bonds (distance) C4'-P energy: -157.889
bonds (distance) P-C4' energy: -157.362
flat angles C4'-P-C4' energy: -191.234
flat angles P-C4'-P energy: -107.412
tors. eta vs tors. theta energy: -194.219
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: 6, replica: 9
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -1949.890120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.890120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.890120 (E_RNA)
where:
Base-Base interactions energy: -1225.657
where: short stacking energy: -531.876
Base-Backbone interact. energy: -0.180
local terms energy: -724.052349
where:
bonds (distance) C4'-P energy: -164.171
bonds (distance) P-C4' energy: -183.743
flat angles C4'-P-C4' energy: -161.503
flat angles P-C4'-P energy: -86.307
tors. eta vs tors. theta energy: -128.328
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: 5
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -1617.581722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.581722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.581722 (E_RNA)
where:
Base-Base interactions energy: -958.979
where: short stacking energy: -454.440
Base-Backbone interact. energy: 3.169
local terms energy: -661.771868
where:
bonds (distance) C4'-P energy: -145.067
bonds (distance) P-C4' energy: -164.862
flat angles C4'-P-C4' energy: -134.882
flat angles P-C4'-P energy: -121.129
tors. eta vs tors. theta energy: -95.832
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: 8
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -1287.053507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.053507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.053507 (E_RNA)
where:
Base-Base interactions energy: -702.594
where: short stacking energy: -375.890
Base-Backbone interact. energy: -0.027
local terms energy: -584.432599
where:
bonds (distance) C4'-P energy: -139.308
bonds (distance) P-C4' energy: -149.877
flat angles C4'-P-C4' energy: -149.259
flat angles P-C4'-P energy: -86.456
tors. eta vs tors. theta energy: -59.532
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: 2
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -955.567774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.567774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.567774 (E_RNA)
where:
Base-Base interactions energy: -473.983
where: short stacking energy: -257.133
Base-Backbone interact. energy: -0.801
local terms energy: -480.783933
where:
bonds (distance) C4'-P energy: -147.105
bonds (distance) P-C4' energy: -150.088
flat angles C4'-P-C4' energy: -127.734
flat angles P-C4'-P energy: -60.528
tors. eta vs tors. theta energy: 4.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -808.437676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.437676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.437676 (E_RNA)
where:
Base-Base interactions energy: -369.331
where: short stacking energy: -241.587
Base-Backbone interact. energy: 1.834
local terms energy: -440.941472
where:
bonds (distance) C4'-P energy: -129.279
bonds (distance) P-C4' energy: -146.395
flat angles C4'-P-C4' energy: -127.461
flat angles P-C4'-P energy: -63.024
tors. eta vs tors. theta energy: 25.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -3073.741303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3073.741303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3073.741303 (E_RNA)
where:
Base-Base interactions energy: -2118.862
where: short stacking energy: -894.694
Base-Backbone interact. energy: 3.242
local terms energy: -958.121607
where:
bonds (distance) C4'-P energy: -173.722
bonds (distance) P-C4' energy: -198.680
flat angles C4'-P-C4' energy: -193.708
flat angles P-C4'-P energy: -137.730
tors. eta vs tors. theta energy: -254.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -2910.115354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2910.115354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2910.115354 (E_RNA)
where:
Base-Base interactions energy: -1966.014
where: short stacking energy: -844.834
Base-Backbone interact. energy: -5.688
local terms energy: -938.412381
where:
bonds (distance) C4'-P energy: -166.723
bonds (distance) P-C4' energy: -186.710
flat angles C4'-P-C4' energy: -196.438
flat angles P-C4'-P energy: -134.429
tors. eta vs tors. theta energy: -254.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -2717.421928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2717.421928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2717.421928 (E_RNA)
where:
Base-Base interactions energy: -1845.418
where: short stacking energy: -762.802
Base-Backbone interact. energy: -1.380
local terms energy: -870.623642
where:
bonds (distance) C4'-P energy: -179.268
bonds (distance) P-C4' energy: -178.055
flat angles C4'-P-C4' energy: -177.050
flat angles P-C4'-P energy: -119.021
tors. eta vs tors. theta energy: -217.230
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: 6
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -2591.583455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.583455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2591.583455 (E_RNA)
where:
Base-Base interactions energy: -1754.600
where: short stacking energy: -760.116
Base-Backbone interact. energy: -2.990
local terms energy: -833.993785
where:
bonds (distance) C4'-P energy: -143.289
bonds (distance) P-C4' energy: -161.555
flat angles C4'-P-C4' energy: -192.016
flat angles P-C4'-P energy: -112.791
tors. eta vs tors. theta energy: -224.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -2319.093806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.093806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2319.093806 (E_RNA)
where:
Base-Base interactions energy: -1548.601
where: short stacking energy: -669.591
Base-Backbone interact. energy: -3.479
local terms energy: -767.014356
where:
bonds (distance) C4'-P energy: -162.569
bonds (distance) P-C4' energy: -153.156
flat angles C4'-P-C4' energy: -171.632
flat angles P-C4'-P energy: -102.378
tors. eta vs tors. theta energy: -177.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -2036.716093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.716093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.716093 (E_RNA)
where:
Base-Base interactions energy: -1267.554
where: short stacking energy: -577.727
Base-Backbone interact. energy: -4.353
local terms energy: -764.808530
where:
bonds (distance) C4'-P energy: -162.178
bonds (distance) P-C4' energy: -159.298
flat angles C4'-P-C4' energy: -191.443
flat angles P-C4'-P energy: -106.359
tors. eta vs tors. theta energy: -145.531
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: 7, replica: 5
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -1607.056345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1607.056345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1607.056345 (E_RNA)
where:
Base-Base interactions energy: -943.487
where: short stacking energy: -449.586
Base-Backbone interact. energy: -1.012
local terms energy: -662.556671
where:
bonds (distance) C4'-P energy: -156.330
bonds (distance) P-C4' energy: -167.113
flat angles C4'-P-C4' energy: -149.211
flat angles P-C4'-P energy: -88.871
tors. eta vs tors. theta energy: -101.032
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: 8
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -1214.880720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.880720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.880720 (E_RNA)
where:
Base-Base interactions energy: -641.743
where: short stacking energy: -338.454
Base-Backbone interact. energy: 1.752
local terms energy: -574.889594
where:
bonds (distance) C4'-P energy: -148.423
bonds (distance) P-C4' energy: -152.639
flat angles C4'-P-C4' energy: -148.905
flat angles P-C4'-P energy: -85.467
tors. eta vs tors. theta energy: -39.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -944.088962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.088962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.088962 (E_RNA)
where:
Base-Base interactions energy: -432.657
where: short stacking energy: -274.814
Base-Backbone interact. energy: -0.558
local terms energy: -510.873482
where:
bonds (distance) C4'-P energy: -153.918
bonds (distance) P-C4' energy: -143.629
flat angles C4'-P-C4' energy: -140.469
flat angles P-C4'-P energy: -69.797
tors. eta vs tors. theta energy: -3.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -795.103777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.103777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.103777 (E_RNA)
where:
Base-Base interactions energy: -312.182
where: short stacking energy: -173.981
Base-Backbone interact. energy: -3.064
local terms energy: -479.857134
where:
bonds (distance) C4'-P energy: -157.110
bonds (distance) P-C4' energy: -160.857
flat angles C4'-P-C4' energy: -114.230
flat angles P-C4'-P energy: -71.567
tors. eta vs tors. theta energy: 23.908
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: 1, replica: 7
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -3055.336760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3055.336760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3055.336760 (E_RNA)
where:
Base-Base interactions energy: -2109.406
where: short stacking energy: -892.288
Base-Backbone interact. energy: 3.154
local terms energy: -949.084071
where:
bonds (distance) C4'-P energy: -177.799
bonds (distance) P-C4' energy: -176.236
flat angles C4'-P-C4' energy: -201.612
flat angles P-C4'-P energy: -128.333
tors. eta vs tors. theta energy: -265.105
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: 2, replica: 10
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -2931.676568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2931.676568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2931.676568 (E_RNA)
where:
Base-Base interactions energy: -2003.564
where: short stacking energy: -840.906
Base-Backbone interact. energy: -3.928
local terms energy: -924.184897
where:
bonds (distance) C4'-P energy: -182.752
bonds (distance) P-C4' energy: -173.548
flat angles C4'-P-C4' energy: -188.431
flat angles P-C4'-P energy: -126.568
tors. eta vs tors. theta energy: -252.886
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: 3, replica: 3
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -2678.892809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2678.892809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2678.892809 (E_RNA)
where:
Base-Base interactions energy: -1823.837
where: short stacking energy: -746.892
Base-Backbone interact. energy: 2.847
local terms energy: -857.903239
where:
bonds (distance) C4'-P energy: -170.189
bonds (distance) P-C4' energy: -173.987
flat angles C4'-P-C4' energy: -188.105
flat angles P-C4'-P energy: -114.596
tors. eta vs tors. theta energy: -211.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -2612.532341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2612.532341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2612.532341 (E_RNA)
where:
Base-Base interactions energy: -1734.786
where: short stacking energy: -762.507
Base-Backbone interact. energy: -2.201
local terms energy: -875.545149
where:
bonds (distance) C4'-P energy: -162.053
bonds (distance) P-C4' energy: -176.715
flat angles C4'-P-C4' energy: -188.084
flat angles P-C4'-P energy: -112.431
tors. eta vs tors. theta energy: -236.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -2335.514124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2335.514124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2335.514124 (E_RNA)
where:
Base-Base interactions energy: -1542.706
where: short stacking energy: -672.495
Base-Backbone interact. energy: -1.002
local terms energy: -791.806634
where:
bonds (distance) C4'-P energy: -155.475
bonds (distance) P-C4' energy: -154.379
flat angles C4'-P-C4' energy: -179.753
flat angles P-C4'-P energy: -115.246
tors. eta vs tors. theta energy: -186.954
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: 9
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -1997.225154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.225154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.225154 (E_RNA)
where:
Base-Base interactions energy: -1276.020
where: short stacking energy: -587.807
Base-Backbone interact. energy: 1.082
local terms energy: -722.286664
where:
bonds (distance) C4'-P energy: -143.426
bonds (distance) P-C4' energy: -170.239
flat angles C4'-P-C4' energy: -166.146
flat angles P-C4'-P energy: -97.540
tors. eta vs tors. theta energy: -144.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -1619.649754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.649754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.649754 (E_RNA)
where:
Base-Base interactions energy: -976.771
where: short stacking energy: -454.850
Base-Backbone interact. energy: 2.280
local terms energy: -645.282083
where:
bonds (distance) C4'-P energy: -155.078
bonds (distance) P-C4' energy: -158.826
flat angles C4'-P-C4' energy: -150.922
flat angles P-C4'-P energy: -75.651
tors. eta vs tors. theta energy: -104.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.124 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -1203.557228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.557228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.557228 (E_RNA)
where:
Base-Base interactions energy: -627.627
where: short stacking energy: -323.697
Base-Backbone interact. energy: 2.078
local terms energy: -578.008940
where:
bonds (distance) C4'-P energy: -151.478
bonds (distance) P-C4' energy: -173.122
flat angles C4'-P-C4' energy: -139.727
flat angles P-C4'-P energy: -87.336
tors. eta vs tors. theta energy: -26.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -959.645263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.645263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.645263 (E_RNA)
where:
Base-Base interactions energy: -485.722
where: short stacking energy: -266.561
Base-Backbone interact. energy: 2.662
local terms energy: -476.584556
where:
bonds (distance) C4'-P energy: -134.094
bonds (distance) P-C4' energy: -143.579
flat angles C4'-P-C4' energy: -135.900
flat angles P-C4'-P energy: -68.812
tors. eta vs tors. theta energy: 5.802
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: 10, replica: 4
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -814.076588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.076588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.076588 (E_RNA)
where:
Base-Base interactions energy: -357.084
where: short stacking energy: -231.575
Base-Backbone interact. energy: 8.257
local terms energy: -465.249793
where:
bonds (distance) C4'-P energy: -126.423
bonds (distance) P-C4' energy: -143.849
flat angles C4'-P-C4' energy: -119.280
flat angles P-C4'-P energy: -86.771
tors. eta vs tors. theta energy: 11.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -3042.094735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3042.094735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3042.094735 (E_RNA)
where:
Base-Base interactions energy: -2086.578
where: short stacking energy: -873.538
Base-Backbone interact. energy: -3.854
local terms energy: -951.663045
where:
bonds (distance) C4'-P energy: -181.794
bonds (distance) P-C4' energy: -175.022
flat angles C4'-P-C4' energy: -204.291
flat angles P-C4'-P energy: -129.108
tors. eta vs tors. theta energy: -261.448
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: 2, replica: 10
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -2920.508841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2920.508841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2920.508841 (E_RNA)
where:
Base-Base interactions energy: -1993.588
where: short stacking energy: -851.835
Base-Backbone interact. energy: -4.557
local terms energy: -922.363376
where:
bonds (distance) C4'-P energy: -168.518
bonds (distance) P-C4' energy: -177.765
flat angles C4'-P-C4' energy: -198.161
flat angles P-C4'-P energy: -131.505
tors. eta vs tors. theta energy: -246.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -2657.421798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2657.421798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2657.421798 (E_RNA)
where:
Base-Base interactions energy: -1813.445
where: short stacking energy: -777.794
Base-Backbone interact. energy: -2.968
local terms energy: -841.008859
where:
bonds (distance) C4'-P energy: -157.598
bonds (distance) P-C4' energy: -176.713
flat angles C4'-P-C4' energy: -180.297
flat angles P-C4'-P energy: -116.809
tors. eta vs tors. theta energy: -209.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -2676.506816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2676.506816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2676.506816 (E_RNA)
where:
Base-Base interactions energy: -1797.755
where: short stacking energy: -774.765
Base-Backbone interact. energy: -1.508
local terms energy: -877.243970
where:
bonds (distance) C4'-P energy: -166.832
bonds (distance) P-C4' energy: -159.810
flat angles C4'-P-C4' energy: -192.073
flat angles P-C4'-P energy: -124.642
tors. eta vs tors. theta energy: -233.886
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: 5, replica: 1
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -2314.527831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.527831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2314.527831 (E_RNA)
where:
Base-Base interactions energy: -1549.100
where: short stacking energy: -707.699
Base-Backbone interact. energy: -2.128
local terms energy: -763.299736
where:
bonds (distance) C4'-P energy: -134.246
bonds (distance) P-C4' energy: -154.181
flat angles C4'-P-C4' energy: -168.554
flat angles P-C4'-P energy: -119.808
tors. eta vs tors. theta energy: -186.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -1923.849363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.849363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.849363 (E_RNA)
where:
Base-Base interactions energy: -1229.519
where: short stacking energy: -581.542
Base-Backbone interact. energy: -2.611
local terms energy: -691.718608
where:
bonds (distance) C4'-P energy: -149.311
bonds (distance) P-C4' energy: -149.791
flat angles C4'-P-C4' energy: -153.223
flat angles P-C4'-P energy: -110.964
tors. eta vs tors. theta energy: -128.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -1565.471432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.471432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.471432 (E_RNA)
where:
Base-Base interactions energy: -933.019
where: short stacking energy: -428.990
Base-Backbone interact. energy: -0.198
local terms energy: -632.254649
where:
bonds (distance) C4'-P energy: -152.045
bonds (distance) P-C4' energy: -153.316
flat angles C4'-P-C4' energy: -157.189
flat angles P-C4'-P energy: -80.421
tors. eta vs tors. theta energy: -89.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -1235.479328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.479328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.479328 (E_RNA)
where:
Base-Base interactions energy: -692.072
where: short stacking energy: -379.305
Base-Backbone interact. energy: -2.533
local terms energy: -540.874898
where:
bonds (distance) C4'-P energy: -152.779
bonds (distance) P-C4' energy: -119.385
flat angles C4'-P-C4' energy: -140.604
flat angles P-C4'-P energy: -90.998
tors. eta vs tors. theta energy: -37.109
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: 2
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -946.122994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.122994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.122994 (E_RNA)
where:
Base-Base interactions energy: -461.252
where: short stacking energy: -274.022
Base-Backbone interact. energy: 0.295
local terms energy: -485.165807
where:
bonds (distance) C4'-P energy: -143.530
bonds (distance) P-C4' energy: -149.720
flat angles C4'-P-C4' energy: -131.962
flat angles P-C4'-P energy: -67.027
tors. eta vs tors. theta energy: 7.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -820.266679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.266679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.266679 (E_RNA)
where:
Base-Base interactions energy: -338.409
where: short stacking energy: -210.584
Base-Backbone interact. energy: -5.249
local terms energy: -476.608980
where:
bonds (distance) C4'-P energy: -140.170
bonds (distance) P-C4' energy: -149.694
flat angles C4'-P-C4' energy: -133.998
flat angles P-C4'-P energy: -70.422
tors. eta vs tors. theta energy: 17.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -3065.972782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3065.972782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3065.972782 (E_RNA)
where:
Base-Base interactions energy: -2109.367
where: short stacking energy: -890.830
Base-Backbone interact. energy: -2.481
local terms energy: -954.124374
where:
bonds (distance) C4'-P energy: -167.760
bonds (distance) P-C4' energy: -185.826
flat angles C4'-P-C4' energy: -194.890
flat angles P-C4'-P energy: -140.951
tors. eta vs tors. theta energy: -264.698
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: 10
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -2946.894017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2946.894017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2946.894017 (E_RNA)
where:
Base-Base interactions energy: -2011.934
where: short stacking energy: -834.750
Base-Backbone interact. energy: -5.122
local terms energy: -929.838263
where:
bonds (distance) C4'-P energy: -177.201
bonds (distance) P-C4' energy: -164.880
flat angles C4'-P-C4' energy: -203.554
flat angles P-C4'-P energy: -127.906
tors. eta vs tors. theta energy: -256.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -2665.373407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2665.373407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2665.373407 (E_RNA)
where:
Base-Base interactions energy: -1784.249
where: short stacking energy: -738.206
Base-Backbone interact. energy: 0.413
local terms energy: -881.537181
where:
bonds (distance) C4'-P energy: -155.805
bonds (distance) P-C4' energy: -182.837
flat angles C4'-P-C4' energy: -202.021
flat angles P-C4'-P energy: -125.944
tors. eta vs tors. theta energy: -214.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -2569.214475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2569.214475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2569.214475 (E_RNA)
where:
Base-Base interactions energy: -1715.051
where: short stacking energy: -746.780
Base-Backbone interact. energy: -1.218
local terms energy: -852.945682
where:
bonds (distance) C4'-P energy: -163.643
bonds (distance) P-C4' energy: -175.405
flat angles C4'-P-C4' energy: -196.522
flat angles P-C4'-P energy: -111.594
tors. eta vs tors. theta energy: -205.782
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: 1
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -2310.676474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2310.676474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.676474 (E_RNA)
where:
Base-Base interactions energy: -1535.646
where: short stacking energy: -645.372
Base-Backbone interact. energy: -0.175
local terms energy: -774.855501
where:
bonds (distance) C4'-P energy: -146.875
bonds (distance) P-C4' energy: -160.950
flat angles C4'-P-C4' energy: -174.928
flat angles P-C4'-P energy: -108.925
tors. eta vs tors. theta energy: -183.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -1986.368169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1986.368169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1986.368169 (E_RNA)
where:
Base-Base interactions energy: -1261.999
where: short stacking energy: -548.241
Base-Backbone interact. energy: -2.681
local terms energy: -721.688235
where:
bonds (distance) C4'-P energy: -168.715
bonds (distance) P-C4' energy: -178.226
flat angles C4'-P-C4' energy: -154.020
flat angles P-C4'-P energy: -78.668
tors. eta vs tors. theta energy: -142.060
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: 5
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -1493.045856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.045856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1493.045856 (E_RNA)
where:
Base-Base interactions energy: -836.974
where: short stacking energy: -423.861
Base-Backbone interact. energy: 0.441
local terms energy: -658.586904
where:
bonds (distance) C4'-P energy: -139.060
bonds (distance) P-C4' energy: -169.596
flat angles C4'-P-C4' energy: -162.235
flat angles P-C4'-P energy: -99.921
tors. eta vs tors. theta energy: -87.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.074 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -1182.569066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.569066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.569066 (E_RNA)
where:
Base-Base interactions energy: -655.484
where: short stacking energy: -349.648
Base-Backbone interact. energy: 9.670
local terms energy: -536.754889
where:
bonds (distance) C4'-P energy: -151.534
bonds (distance) P-C4' energy: -155.021
flat angles C4'-P-C4' energy: -120.721
flat angles P-C4'-P energy: -85.820
tors. eta vs tors. theta energy: -23.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -1024.755058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.755058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.755058 (E_RNA)
where:
Base-Base interactions energy: -502.644
where: short stacking energy: -299.097
Base-Backbone interact. energy: -2.111
local terms energy: -520.000412
where:
bonds (distance) C4'-P energy: -144.203
bonds (distance) P-C4' energy: -153.964
flat angles C4'-P-C4' energy: -131.169
flat angles P-C4'-P energy: -94.081
tors. eta vs tors. theta energy: 3.415
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: 4
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -813.308547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.308547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.308547 (E_RNA)
where:
Base-Base interactions energy: -322.295
where: short stacking energy: -215.876
Base-Backbone interact. energy: -0.843
local terms energy: -490.171361
where:
bonds (distance) C4'-P energy: -145.742
bonds (distance) P-C4' energy: -155.857
flat angles C4'-P-C4' energy: -127.505
flat angles P-C4'-P energy: -72.891
tors. eta vs tors. theta energy: 11.824
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: 7
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -3048.290102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3048.290102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3048.290102 (E_RNA)
where:
Base-Base interactions energy: -2095.241
where: short stacking energy: -872.279
Base-Backbone interact. energy: -5.535
local terms energy: -947.514274
where:
bonds (distance) C4'-P energy: -189.768
bonds (distance) P-C4' energy: -169.730
flat angles C4'-P-C4' energy: -187.501
flat angles P-C4'-P energy: -134.599
tors. eta vs tors. theta energy: -265.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -2941.449477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2941.449477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2941.449477 (E_RNA)
where:
Base-Base interactions energy: -2020.390
where: short stacking energy: -853.320
Base-Backbone interact. energy: -4.896
local terms energy: -916.163364
where:
bonds (distance) C4'-P energy: -175.170
bonds (distance) P-C4' energy: -165.965
flat angles C4'-P-C4' energy: -184.009
flat angles P-C4'-P energy: -132.348
tors. eta vs tors. theta energy: -258.671
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: 3, replica: 3
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -2696.867081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2696.867081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2696.867081 (E_RNA)
where:
Base-Base interactions energy: -1845.238
where: short stacking energy: -757.115
Base-Backbone interact. energy: -2.208
local terms energy: -849.421144
where:
bonds (distance) C4'-P energy: -160.539
bonds (distance) P-C4' energy: -163.455
flat angles C4'-P-C4' energy: -171.666
flat angles P-C4'-P energy: -125.140
tors. eta vs tors. theta energy: -228.621
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: 6
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -2535.774964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2535.774964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2535.774964 (E_RNA)
where:
Base-Base interactions energy: -1717.276
where: short stacking energy: -726.042
Base-Backbone interact. energy: 1.541
local terms energy: -820.040032
where:
bonds (distance) C4'-P energy: -187.105
bonds (distance) P-C4' energy: -148.185
flat angles C4'-P-C4' energy: -177.863
flat angles P-C4'-P energy: -106.165
tors. eta vs tors. theta energy: -200.723
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: 1
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -2331.595551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2331.595551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2331.595551 (E_RNA)
where:
Base-Base interactions energy: -1555.900
where: short stacking energy: -686.880
Base-Backbone interact. energy: -3.356
local terms energy: -772.338726
where:
bonds (distance) C4'-P energy: -150.529
bonds (distance) P-C4' energy: -173.713
flat angles C4'-P-C4' energy: -175.825
flat angles P-C4'-P energy: -102.535
tors. eta vs tors. theta energy: -169.738
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: 9
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -2001.266024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.266024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.266024 (E_RNA)
where:
Base-Base interactions energy: -1261.577
where: short stacking energy: -569.291
Base-Backbone interact. energy: -1.262
local terms energy: -738.426991
where:
bonds (distance) C4'-P energy: -143.416
bonds (distance) P-C4' energy: -176.825
flat angles C4'-P-C4' energy: -165.657
flat angles P-C4'-P energy: -104.443
tors. eta vs tors. theta energy: -148.086
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: 7, replica: 5
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -1535.232028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.232028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.232028 (E_RNA)
where:
Base-Base interactions energy: -901.236
where: short stacking energy: -431.261
Base-Backbone interact. energy: 1.134
local terms energy: -635.130613
where:
bonds (distance) C4'-P energy: -133.463
bonds (distance) P-C4' energy: -173.266
flat angles C4'-P-C4' energy: -158.431
flat angles P-C4'-P energy: -88.765
tors. eta vs tors. theta energy: -81.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -1177.506550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.506550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.506550 (E_RNA)
where:
Base-Base interactions energy: -631.337
where: short stacking energy: -352.511
Base-Backbone interact. energy: 5.069
local terms energy: -551.237658
where:
bonds (distance) C4'-P energy: -135.883
bonds (distance) P-C4' energy: -146.987
flat angles C4'-P-C4' energy: -158.774
flat angles P-C4'-P energy: -78.654
tors. eta vs tors. theta energy: -30.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -979.213440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.213440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.213440 (E_RNA)
where:
Base-Base interactions energy: -504.619
where: short stacking energy: -268.526
Base-Backbone interact. energy: 0.508
local terms energy: -475.102930
where:
bonds (distance) C4'-P energy: -126.163
bonds (distance) P-C4' energy: -141.248
flat angles C4'-P-C4' energy: -116.124
flat angles P-C4'-P energy: -92.711
tors. eta vs tors. theta energy: 1.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -796.154121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.154121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.154121 (E_RNA)
where:
Base-Base interactions energy: -341.141
where: short stacking energy: -219.571
Base-Backbone interact. energy: 2.222
local terms energy: -457.235932
where:
bonds (distance) C4'-P energy: -147.518
bonds (distance) P-C4' energy: -144.565
flat angles C4'-P-C4' energy: -106.854
flat angles P-C4'-P energy: -70.594
tors. eta vs tors. theta energy: 12.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -3037.085157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3037.085157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3037.085157 (E_RNA)
where:
Base-Base interactions energy: -2064.187
where: short stacking energy: -853.275
Base-Backbone interact. energy: -0.991
local terms energy: -971.907190
where:
bonds (distance) C4'-P energy: -175.648
bonds (distance) P-C4' energy: -186.837
flat angles C4'-P-C4' energy: -212.685
flat angles P-C4'-P energy: -137.070
tors. eta vs tors. theta energy: -259.667
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: 10
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -2940.562422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2940.562422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2940.562422 (E_RNA)
where:
Base-Base interactions energy: -2001.722
where: short stacking energy: -817.166
Base-Backbone interact. energy: -4.796
local terms energy: -934.044533
where:
bonds (distance) C4'-P energy: -159.652
bonds (distance) P-C4' energy: -194.131
flat angles C4'-P-C4' energy: -191.520
flat angles P-C4'-P energy: -129.672
tors. eta vs tors. theta energy: -259.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -2705.618102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2705.618102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2705.618102 (E_RNA)
where:
Base-Base interactions energy: -1848.346
where: short stacking energy: -721.118
Base-Backbone interact. energy: -3.392
local terms energy: -853.880097
where:
bonds (distance) C4'-P energy: -181.100
bonds (distance) P-C4' energy: -177.852
flat angles C4'-P-C4' energy: -180.012
flat angles P-C4'-P energy: -108.138
tors. eta vs tors. theta energy: -206.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -2591.193601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.193601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2591.193601 (E_RNA)
where:
Base-Base interactions energy: -1730.050
where: short stacking energy: -711.182
Base-Backbone interact. energy: -1.602
local terms energy: -859.541756
where:
bonds (distance) C4'-P energy: -168.657
bonds (distance) P-C4' energy: -171.017
flat angles C4'-P-C4' energy: -194.998
flat angles P-C4'-P energy: -120.582
tors. eta vs tors. theta energy: -204.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -2373.290466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2373.290466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2373.290466 (E_RNA)
where:
Base-Base interactions energy: -1595.345
where: short stacking energy: -663.431
Base-Backbone interact. energy: -0.177
local terms energy: -777.767794
where:
bonds (distance) C4'-P energy: -167.734
bonds (distance) P-C4' energy: -152.711
flat angles C4'-P-C4' energy: -181.575
flat angles P-C4'-P energy: -103.272
tors. eta vs tors. theta energy: -172.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -2021.686573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.686573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.686573 (E_RNA)
where:
Base-Base interactions energy: -1295.254
where: short stacking energy: -583.537
Base-Backbone interact. energy: 2.727
local terms energy: -729.158827
where:
bonds (distance) C4'-P energy: -141.113
bonds (distance) P-C4' energy: -137.240
flat angles C4'-P-C4' energy: -179.163
flat angles P-C4'-P energy: -118.080
tors. eta vs tors. theta energy: -153.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -1564.178780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.178780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.178780 (E_RNA)
where:
Base-Base interactions energy: -922.225
where: short stacking energy: -466.825
Base-Backbone interact. energy: 3.560
local terms energy: -645.513944
where:
bonds (distance) C4'-P energy: -164.102
bonds (distance) P-C4' energy: -165.006
flat angles C4'-P-C4' energy: -151.416
flat angles P-C4'-P energy: -87.037
tors. eta vs tors. theta energy: -77.953
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: 8, replica: 8
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -1244.456676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.456676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.456676 (E_RNA)
where:
Base-Base interactions energy: -670.478
where: short stacking energy: -368.607
Base-Backbone interact. energy: -2.620
local terms energy: -571.359248
where:
bonds (distance) C4'-P energy: -146.169
bonds (distance) P-C4' energy: -168.885
flat angles C4'-P-C4' energy: -149.676
flat angles P-C4'-P energy: -69.062
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: 9, replica: 2
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -985.598899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.598899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.598899 (E_RNA)
where:
Base-Base interactions energy: -498.214
where: short stacking energy: -275.261
Base-Backbone interact. energy: 1.974
local terms energy: -489.358852
where:
bonds (distance) C4'-P energy: -145.598
bonds (distance) P-C4' energy: -144.248
flat angles C4'-P-C4' energy: -124.967
flat angles P-C4'-P energy: -77.518
tors. eta vs tors. theta energy: 2.972
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: 4
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -792.167870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.167870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.167870 (E_RNA)
where:
Base-Base interactions energy: -323.900
where: short stacking energy: -195.623
Base-Backbone interact. energy: 2.285
local terms energy: -470.552772
where:
bonds (distance) C4'-P energy: -145.099
bonds (distance) P-C4' energy: -151.034
flat angles C4'-P-C4' energy: -108.946
flat angles P-C4'-P energy: -76.384
tors. eta vs tors. theta energy: 10.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -3049.356818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3049.356818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3049.356818 (E_RNA)
where:
Base-Base interactions energy: -2105.188
where: short stacking energy: -891.584
Base-Backbone interact. energy: -0.863
local terms energy: -943.305219
where:
bonds (distance) C4'-P energy: -164.901
bonds (distance) P-C4' energy: -179.229
flat angles C4'-P-C4' energy: -209.862
flat angles P-C4'-P energy: -126.466
tors. eta vs tors. theta energy: -262.847
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: 2, replica: 10
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -2928.798781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2928.798781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2928.798781 (E_RNA)
where:
Base-Base interactions energy: -2026.253
where: short stacking energy: -834.116
Base-Backbone interact. energy: -4.909
local terms energy: -897.637303
where:
bonds (distance) C4'-P energy: -156.808
bonds (distance) P-C4' energy: -180.559
flat angles C4'-P-C4' energy: -193.339
flat angles P-C4'-P energy: -109.999
tors. eta vs tors. theta energy: -256.932
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: 3
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -2694.552762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2694.552762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2694.552762 (E_RNA)
where:
Base-Base interactions energy: -1796.004
where: short stacking energy: -728.122
Base-Backbone interact. energy: -4.670
local terms energy: -893.879002
where:
bonds (distance) C4'-P energy: -173.810
bonds (distance) P-C4' energy: -186.926
flat angles C4'-P-C4' energy: -189.154
flat angles P-C4'-P energy: -120.515
tors. eta vs tors. theta energy: -223.474
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: 6
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -2583.759514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2583.759514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.759514 (E_RNA)
where:
Base-Base interactions energy: -1755.793
where: short stacking energy: -752.591
Base-Backbone interact. energy: -0.445
local terms energy: -827.521673
where:
bonds (distance) C4'-P energy: -142.001
bonds (distance) P-C4' energy: -158.760
flat angles C4'-P-C4' energy: -192.761
flat angles P-C4'-P energy: -122.267
tors. eta vs tors. theta energy: -211.733
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: 5, replica: 1
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -2355.911934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2355.911934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2355.911934 (E_RNA)
where:
Base-Base interactions energy: -1578.118
where: short stacking energy: -653.986
Base-Backbone interact. energy: -3.323
local terms energy: -774.470933
where:
bonds (distance) C4'-P energy: -164.746
bonds (distance) P-C4' energy: -155.297
flat angles C4'-P-C4' energy: -181.240
flat angles P-C4'-P energy: -106.627
tors. eta vs tors. theta energy: -166.560
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: 6, replica: 9
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -1973.452968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.452968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.452968 (E_RNA)
where:
Base-Base interactions energy: -1248.269
where: short stacking energy: -580.129
Base-Backbone interact. energy: -0.343
local terms energy: -724.840928
where:
bonds (distance) C4'-P energy: -134.797
bonds (distance) P-C4' energy: -156.871
flat angles C4'-P-C4' energy: -172.255
flat angles P-C4'-P energy: -112.530
tors. eta vs tors. theta energy: -148.389
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: 300
Temperature: 1.200000
Total energy: -1623.822645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.822645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.822645 (E_RNA)
where:
Base-Base interactions energy: -987.842
where: short stacking energy: -432.077
Base-Backbone interact. energy: 0.841
local terms energy: -636.821432
where:
bonds (distance) C4'-P energy: -154.036
bonds (distance) P-C4' energy: -151.434
flat angles C4'-P-C4' energy: -167.351
flat angles P-C4'-P energy: -93.135
tors. eta vs tors. theta energy: -70.866
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: 8
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -1198.628104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.628104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.628104 (E_RNA)
where:
Base-Base interactions energy: -624.748
where: short stacking energy: -321.807
Base-Backbone interact. energy: 5.009
local terms energy: -578.889397
where:
bonds (distance) C4'-P energy: -161.371
bonds (distance) P-C4' energy: -162.590
flat angles C4'-P-C4' energy: -149.785
flat angles P-C4'-P energy: -75.906
tors. eta vs tors. theta energy: -29.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -988.449650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.449650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.449650 (E_RNA)
where:
Base-Base interactions energy: -522.807
where: short stacking energy: -307.114
Base-Backbone interact. energy: 3.071
local terms energy: -468.713826
where:
bonds (distance) C4'-P energy: -139.973
bonds (distance) P-C4' energy: -150.635
flat angles C4'-P-C4' energy: -127.918
flat angles P-C4'-P energy: -52.849
tors. eta vs tors. theta energy: 2.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -843.331311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.331311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.331311 (E_RNA)
where:
Base-Base interactions energy: -412.885
where: short stacking energy: -233.183
Base-Backbone interact. energy: 2.606
local terms energy: -433.052689
where:
bonds (distance) C4'-P energy: -124.358
bonds (distance) P-C4' energy: -164.663
flat angles C4'-P-C4' energy: -89.326
flat angles P-C4'-P energy: -65.980
tors. eta vs tors. theta energy: 11.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -3039.169452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3039.169452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3039.169452 (E_RNA)
where:
Base-Base interactions energy: -2085.906
where: short stacking energy: -887.331
Base-Backbone interact. energy: -3.253
local terms energy: -950.009766
where:
bonds (distance) C4'-P energy: -185.832
bonds (distance) P-C4' energy: -168.796
flat angles C4'-P-C4' energy: -193.165
flat angles P-C4'-P energy: -144.519
tors. eta vs tors. theta energy: -257.698
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: 10
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -2927.534155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2927.534155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2927.534155 (E_RNA)
where:
Base-Base interactions energy: -1987.901
where: short stacking energy: -840.940
Base-Backbone interact. energy: -7.069
local terms energy: -932.564292
where:
bonds (distance) C4'-P energy: -180.993
bonds (distance) P-C4' energy: -166.127
flat angles C4'-P-C4' energy: -196.654
flat angles P-C4'-P energy: -116.522
tors. eta vs tors. theta energy: -272.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -2768.770867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2768.770867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2768.770867 (E_RNA)
where:
Base-Base interactions energy: -1895.319
where: short stacking energy: -746.451
Base-Backbone interact. energy: -3.212
local terms energy: -870.239452
where:
bonds (distance) C4'-P energy: -168.301
bonds (distance) P-C4' energy: -166.954
flat angles C4'-P-C4' energy: -182.813
flat angles P-C4'-P energy: -131.319
tors. eta vs tors. theta energy: -220.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -2553.763876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2553.763876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2553.763876 (E_RNA)
where:
Base-Base interactions energy: -1741.447
where: short stacking energy: -743.220
Base-Backbone interact. energy: -1.301
local terms energy: -811.015702
where:
bonds (distance) C4'-P energy: -158.458
bonds (distance) P-C4' energy: -158.084
flat angles C4'-P-C4' energy: -168.182
flat angles P-C4'-P energy: -111.072
tors. eta vs tors. theta energy: -215.219
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: 1
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -2395.540748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2395.540748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2395.540748 (E_RNA)
where:
Base-Base interactions energy: -1615.765
where: short stacking energy: -643.262
Base-Backbone interact. energy: 1.543
local terms energy: -781.318627
where:
bonds (distance) C4'-P energy: -120.499
bonds (distance) P-C4' energy: -164.368
flat angles C4'-P-C4' energy: -187.218
flat angles P-C4'-P energy: -130.401
tors. eta vs tors. theta energy: -178.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -2054.564666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.564666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.564666 (E_RNA)
where:
Base-Base interactions energy: -1331.274
where: short stacking energy: -617.670
Base-Backbone interact. energy: 4.453
local terms energy: -730.455745
where:
bonds (distance) C4'-P energy: -164.541
bonds (distance) P-C4' energy: -159.330
flat angles C4'-P-C4' energy: -154.847
flat angles P-C4'-P energy: -98.417
tors. eta vs tors. theta energy: -153.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.712 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -1614.696751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.696751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.696751 (E_RNA)
where:
Base-Base interactions energy: -989.927
where: short stacking energy: -486.169
Base-Backbone interact. energy: 2.015
local terms energy: -626.784739
where:
bonds (distance) C4'-P energy: -138.528
bonds (distance) P-C4' energy: -149.197
flat angles C4'-P-C4' energy: -153.375
flat angles P-C4'-P energy: -102.584
tors. eta vs tors. theta energy: -83.101
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: 8, replica: 8
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -1255.028010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.028010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.028010 (E_RNA)
where:
Base-Base interactions energy: -684.052
where: short stacking energy: -351.853
Base-Backbone interact. energy: 1.694
local terms energy: -572.669747
where:
bonds (distance) C4'-P energy: -156.534
bonds (distance) P-C4' energy: -164.341
flat angles C4'-P-C4' energy: -140.867
flat angles P-C4'-P energy: -85.399
tors. eta vs tors. theta energy: -25.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -1012.555185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.555185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.555185 (E_RNA)
where:
Base-Base interactions energy: -487.085
where: short stacking energy: -299.165
Base-Backbone interact. energy: 4.188
local terms energy: -529.658602
where:
bonds (distance) C4'-P energy: -141.348
bonds (distance) P-C4' energy: -145.981
flat angles C4'-P-C4' energy: -140.207
flat angles P-C4'-P energy: -92.176
tors. eta vs tors. theta energy: -9.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -826.717409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.717409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.717409 (E_RNA)
where:
Base-Base interactions energy: -384.500
where: short stacking energy: -217.762
Base-Backbone interact. energy: -0.490
local terms energy: -441.727077
where:
bonds (distance) C4'-P energy: -119.854
bonds (distance) P-C4' energy: -140.445
flat angles C4'-P-C4' energy: -118.732
flat angles P-C4'-P energy: -84.067
tors. eta vs tors. theta energy: 21.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -3044.464209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3044.464209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3044.464209 (E_RNA)
where:
Base-Base interactions energy: -2077.309
where: short stacking energy: -874.006
Base-Backbone interact. energy: -4.674
local terms energy: -962.481710
where:
bonds (distance) C4'-P energy: -173.718
bonds (distance) P-C4' energy: -183.059
flat angles C4'-P-C4' energy: -204.989
flat angles P-C4'-P energy: -126.993
tors. eta vs tors. theta energy: -273.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -2902.358376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2902.358376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2902.358376 (E_RNA)
where:
Base-Base interactions energy: -1966.644
where: short stacking energy: -831.547
Base-Backbone interact. energy: -1.985
local terms energy: -933.729089
where:
bonds (distance) C4'-P energy: -179.983
bonds (distance) P-C4' energy: -171.810
flat angles C4'-P-C4' energy: -194.022
flat angles P-C4'-P energy: -130.374
tors. eta vs tors. theta energy: -257.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -2706.259121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2706.259121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2706.259121 (E_RNA)
where:
Base-Base interactions energy: -1851.472
where: short stacking energy: -728.497
Base-Backbone interact. energy: 1.639
local terms energy: -856.425603
where:
bonds (distance) C4'-P energy: -151.851
bonds (distance) P-C4' energy: -172.108
flat angles C4'-P-C4' energy: -190.953
flat angles P-C4'-P energy: -126.006
tors. eta vs tors. theta energy: -215.509
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: 6
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -2625.960543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2625.960543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2625.960543 (E_RNA)
where:
Base-Base interactions energy: -1764.452
where: short stacking energy: -752.654
Base-Backbone interact. energy: -4.828
local terms energy: -856.681193
where:
bonds (distance) C4'-P energy: -154.240
bonds (distance) P-C4' energy: -183.754
flat angles C4'-P-C4' energy: -183.784
flat angles P-C4'-P energy: -119.774
tors. eta vs tors. theta energy: -215.129
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: 1
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -2402.925859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2402.925859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2402.925859 (E_RNA)
where:
Base-Base interactions energy: -1602.098
where: short stacking energy: -695.072
Base-Backbone interact. energy: -0.518
local terms energy: -800.309773
where:
bonds (distance) C4'-P energy: -142.442
bonds (distance) P-C4' energy: -150.630
flat angles C4'-P-C4' energy: -192.917
flat angles P-C4'-P energy: -110.879
tors. eta vs tors. theta energy: -203.442
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: 6, replica: 9
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -1974.123517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.123517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.123517 (E_RNA)
where:
Base-Base interactions energy: -1270.449
where: short stacking energy: -568.176
Base-Backbone interact. energy: -1.750
local terms energy: -701.924418
where:
bonds (distance) C4'-P energy: -147.379
bonds (distance) P-C4' energy: -171.384
flat angles C4'-P-C4' energy: -153.038
flat angles P-C4'-P energy: -104.397
tors. eta vs tors. theta energy: -125.727
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: 302
Temperature: 1.200000
Total energy: -1533.559624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.559624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.559624 (E_RNA)
where:
Base-Base interactions energy: -888.953
where: short stacking energy: -422.556
Base-Backbone interact. energy: -0.243
local terms energy: -644.363605
where:
bonds (distance) C4'-P energy: -135.244
bonds (distance) P-C4' energy: -153.942
flat angles C4'-P-C4' energy: -175.200
flat angles P-C4'-P energy: -92.759
tors. eta vs tors. theta energy: -87.219
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: 8, replica: 8
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -1378.345446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.345446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.345446 (E_RNA)
where:
Base-Base interactions energy: -789.406
where: short stacking energy: -404.183
Base-Backbone interact. energy: 0.720
local terms energy: -589.659589
where:
bonds (distance) C4'-P energy: -137.043
bonds (distance) P-C4' energy: -139.369
flat angles C4'-P-C4' energy: -151.258
flat angles P-C4'-P energy: -82.927
tors. eta vs tors. theta energy: -79.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -953.836548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.836548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.836548 (E_RNA)
where:
Base-Base interactions energy: -431.245
where: short stacking energy: -239.864
Base-Backbone interact. energy: 0.947
local terms energy: -523.538700
where:
bonds (distance) C4'-P energy: -152.536
bonds (distance) P-C4' energy: -159.640
flat angles C4'-P-C4' energy: -133.347
flat angles P-C4'-P energy: -75.182
tors. eta vs tors. theta energy: -2.834
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: 4
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -808.747292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.747292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.747292 (E_RNA)
where:
Base-Base interactions energy: -357.977
where: short stacking energy: -224.954
Base-Backbone interact. energy: -2.060
local terms energy: -448.709609
where:
bonds (distance) C4'-P energy: -130.632
bonds (distance) P-C4' energy: -151.006
flat angles C4'-P-C4' energy: -118.473
flat angles P-C4'-P energy: -60.126
tors. eta vs tors. theta energy: 11.528
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: 1, replica: 7
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -3015.932057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3015.932057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3015.932057 (E_RNA)
where:
Base-Base interactions energy: -2057.018
where: short stacking energy: -874.026
Base-Backbone interact. energy: -4.093
local terms energy: -954.821905
where:
bonds (distance) C4'-P energy: -181.740
bonds (distance) P-C4' energy: -188.498
flat angles C4'-P-C4' energy: -198.556
flat angles P-C4'-P energy: -127.353
tors. eta vs tors. theta energy: -258.675
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: 303
Temperature: 0.950000
Total energy: -2923.825502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2923.825502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2923.825502 (E_RNA)
where:
Base-Base interactions energy: -2004.155
where: short stacking energy: -808.383
Base-Backbone interact. energy: -5.694
local terms energy: -913.976719
where:
bonds (distance) C4'-P energy: -146.524
bonds (distance) P-C4' energy: -171.232
flat angles C4'-P-C4' energy: -198.370
flat angles P-C4'-P energy: -134.830
tors. eta vs tors. theta energy: -263.021
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: 3
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -2720.318976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2720.318976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2720.318976 (E_RNA)
where:
Base-Base interactions energy: -1871.168
where: short stacking energy: -740.610
Base-Backbone interact. energy: 8.652
local terms energy: -857.802872
where:
bonds (distance) C4'-P energy: -154.374
bonds (distance) P-C4' energy: -181.416
flat angles C4'-P-C4' energy: -182.457
flat angles P-C4'-P energy: -125.348
tors. eta vs tors. theta energy: -214.207
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: 6
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -2599.420885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2599.420885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2599.420885 (E_RNA)
where:
Base-Base interactions energy: -1777.993
where: short stacking energy: -771.128
Base-Backbone interact. energy: -2.985
local terms energy: -818.442019
where:
bonds (distance) C4'-P energy: -156.101
bonds (distance) P-C4' energy: -144.131
flat angles C4'-P-C4' energy: -184.910
flat angles P-C4'-P energy: -113.616
tors. eta vs tors. theta energy: -219.684
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: 5, replica: 1
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -2446.171508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2446.171508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2446.171508 (E_RNA)
where:
Base-Base interactions energy: -1682.926
where: short stacking energy: -719.149
Base-Backbone interact. energy: -0.864
local terms energy: -762.382175
where:
bonds (distance) C4'-P energy: -120.365
bonds (distance) P-C4' energy: -161.742
flat angles C4'-P-C4' energy: -163.375
flat angles P-C4'-P energy: -96.312
tors. eta vs tors. theta energy: -220.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -2026.133891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.133891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.133891 (E_RNA)
where:
Base-Base interactions energy: -1272.922
where: short stacking energy: -615.698
Base-Backbone interact. energy: 0.822
local terms energy: -754.033924
where:
bonds (distance) C4'-P energy: -150.827
bonds (distance) P-C4' energy: -146.647
flat angles C4'-P-C4' energy: -177.232
flat angles P-C4'-P energy: -112.514
tors. eta vs tors. theta energy: -166.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -1585.778714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.778714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.778714 (E_RNA)
where:
Base-Base interactions energy: -912.293
where: short stacking energy: -438.266
Base-Backbone interact. energy: -2.599
local terms energy: -670.886471
where:
bonds (distance) C4'-P energy: -151.370
bonds (distance) P-C4' energy: -164.271
flat angles C4'-P-C4' energy: -151.933
flat angles P-C4'-P energy: -108.729
tors. eta vs tors. theta energy: -94.582
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: 8
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -1377.308583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.308583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.308583 (E_RNA)
where:
Base-Base interactions energy: -800.017
where: short stacking energy: -379.222
Base-Backbone interact. energy: 3.204
local terms energy: -580.494615
where:
bonds (distance) C4'-P energy: -133.801
bonds (distance) P-C4' energy: -156.565
flat angles C4'-P-C4' energy: -130.990
flat angles P-C4'-P energy: -99.992
tors. eta vs tors. theta energy: -59.147
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: 9, replica: 2
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -943.358330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.358330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.358330 (E_RNA)
where:
Base-Base interactions energy: -431.986
where: short stacking energy: -243.390
Base-Backbone interact. energy: 2.759
local terms energy: -514.131051
where:
bonds (distance) C4'-P energy: -141.186
bonds (distance) P-C4' energy: -156.891
flat angles C4'-P-C4' energy: -130.906
flat angles P-C4'-P energy: -93.770
tors. eta vs tors. theta energy: 8.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -788.432260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.432260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.432260 (E_RNA)
where:
Base-Base interactions energy: -327.350
where: short stacking energy: -225.001
Base-Backbone interact. energy: 0.410
local terms energy: -461.492750
where:
bonds (distance) C4'-P energy: -136.611
bonds (distance) P-C4' energy: -132.789
flat angles C4'-P-C4' energy: -116.309
flat angles P-C4'-P energy: -89.366
tors. eta vs tors. theta energy: 13.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -3011.840126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3011.840126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3011.840126 (E_RNA)
where:
Base-Base interactions energy: -2076.289
where: short stacking energy: -862.138
Base-Backbone interact. energy: -4.507
local terms energy: -931.043848
where:
bonds (distance) C4'-P energy: -175.099
bonds (distance) P-C4' energy: -171.180
flat angles C4'-P-C4' energy: -188.009
flat angles P-C4'-P energy: -133.079
tors. eta vs tors. theta energy: -263.677
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: 10
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -2915.180176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2915.180176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2915.180176 (E_RNA)
where:
Base-Base interactions energy: -1987.596
where: short stacking energy: -824.907
Base-Backbone interact. energy: -1.208
local terms energy: -926.376889
where:
bonds (distance) C4'-P energy: -179.592
bonds (distance) P-C4' energy: -188.980
flat angles C4'-P-C4' energy: -179.062
flat angles P-C4'-P energy: -121.280
tors. eta vs tors. theta energy: -257.464
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: 3
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -2729.938092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2729.938092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2729.938092 (E_RNA)
where:
Base-Base interactions energy: -1912.363
where: short stacking energy: -759.653
Base-Backbone interact. energy: -1.114
local terms energy: -816.461139
where:
bonds (distance) C4'-P energy: -132.112
bonds (distance) P-C4' energy: -174.183
flat angles C4'-P-C4' energy: -180.327
flat angles P-C4'-P energy: -127.049
tors. eta vs tors. theta energy: -202.790
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: 304
Temperature: 1.050000
Total energy: -2625.739499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2625.739499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2625.739499 (E_RNA)
where:
Base-Base interactions energy: -1799.839
where: short stacking energy: -758.817
Base-Backbone interact. energy: -1.604
local terms energy: -824.296548
where:
bonds (distance) C4'-P energy: -158.231
bonds (distance) P-C4' energy: -164.852
flat angles C4'-P-C4' energy: -179.913
flat angles P-C4'-P energy: -101.890
tors. eta vs tors. theta energy: -219.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -2391.729559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2391.729559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2391.729559 (E_RNA)
where:
Base-Base interactions energy: -1627.918
where: short stacking energy: -680.339
Base-Backbone interact. energy: 3.009
local terms energy: -766.820558
where:
bonds (distance) C4'-P energy: -138.505
bonds (distance) P-C4' energy: -156.945
flat angles C4'-P-C4' energy: -179.536
flat angles P-C4'-P energy: -106.074
tors. eta vs tors. theta energy: -185.761
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: 9
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -1912.536363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.536363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.536363 (E_RNA)
where:
Base-Base interactions energy: -1219.228
where: short stacking energy: -522.382
Base-Backbone interact. energy: -1.901
local terms energy: -691.406593
where:
bonds (distance) C4'-P energy: -161.314
bonds (distance) P-C4' energy: -146.501
flat angles C4'-P-C4' energy: -154.727
flat angles P-C4'-P energy: -112.963
tors. eta vs tors. theta energy: -115.901
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: 7, replica: 5
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -1589.042384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.042384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.042384 (E_RNA)
where:
Base-Base interactions energy: -998.559
where: short stacking energy: -433.415
Base-Backbone interact. energy: -2.382
local terms energy: -588.101355
where:
bonds (distance) C4'-P energy: -137.996
bonds (distance) P-C4' energy: -155.207
flat angles C4'-P-C4' energy: -150.065
flat angles P-C4'-P energy: -79.400
tors. eta vs tors. theta energy: -65.434
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: 8, replica: 8
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -1355.767107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.767107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.767107 (E_RNA)
where:
Base-Base interactions energy: -784.015
where: short stacking energy: -394.717
Base-Backbone interact. energy: 6.380
local terms energy: -578.132381
where:
bonds (distance) C4'-P energy: -139.702
bonds (distance) P-C4' energy: -148.337
flat angles C4'-P-C4' energy: -159.428
flat angles P-C4'-P energy: -77.878
tors. eta vs tors. theta energy: -52.787
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: 304
Temperature: 1.300000
Total energy: -941.475169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.475169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.475169 (E_RNA)
where:
Base-Base interactions energy: -439.569
where: short stacking energy: -270.352
Base-Backbone interact. energy: 5.584
local terms energy: -507.490607
where:
bonds (distance) C4'-P energy: -147.420
bonds (distance) P-C4' energy: -154.869
flat angles C4'-P-C4' energy: -126.366
flat angles P-C4'-P energy: -72.984
tors. eta vs tors. theta energy: -5.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -848.632727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.632727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.632727 (E_RNA)
where:
Base-Base interactions energy: -374.871
where: short stacking energy: -238.665
Base-Backbone interact. energy: -3.537
local terms energy: -470.224669
where:
bonds (distance) C4'-P energy: -137.528
bonds (distance) P-C4' energy: -157.195
flat angles C4'-P-C4' energy: -124.539
flat angles P-C4'-P energy: -67.345
tors. eta vs tors. theta energy: 16.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -3040.326266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3040.326266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3040.326266 (E_RNA)
where:
Base-Base interactions energy: -2065.665
where: short stacking energy: -881.641
Base-Backbone interact. energy: -1.059
local terms energy: -973.601819
where:
bonds (distance) C4'-P energy: -172.496
bonds (distance) P-C4' energy: -182.194
flat angles C4'-P-C4' energy: -200.265
flat angles P-C4'-P energy: -148.699
tors. eta vs tors. theta energy: -269.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -2993.327422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2993.327422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2993.327422 (E_RNA)
where:
Base-Base interactions energy: -2066.496
where: short stacking energy: -838.462
Base-Backbone interact. energy: -4.682
local terms energy: -922.149139
where:
bonds (distance) C4'-P energy: -169.771
bonds (distance) P-C4' energy: -169.833
flat angles C4'-P-C4' energy: -204.858
flat angles P-C4'-P energy: -125.816
tors. eta vs tors. theta energy: -251.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -2725.537868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2725.537868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2725.537868 (E_RNA)
where:
Base-Base interactions energy: -1900.353
where: short stacking energy: -747.990
Base-Backbone interact. energy: 5.753
local terms energy: -830.938497
where:
bonds (distance) C4'-P energy: -160.746
bonds (distance) P-C4' energy: -176.878
flat angles C4'-P-C4' energy: -172.395
flat angles P-C4'-P energy: -114.376
tors. eta vs tors. theta energy: -206.544
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: 4, replica: 6
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -2581.602757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2581.602757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2581.602757 (E_RNA)
where:
Base-Base interactions energy: -1745.461
where: short stacking energy: -729.843
Base-Backbone interact. energy: -2.661
local terms energy: -833.480633
where:
bonds (distance) C4'-P energy: -150.288
bonds (distance) P-C4' energy: -163.833
flat angles C4'-P-C4' energy: -186.515
flat angles P-C4'-P energy: -124.258
tors. eta vs tors. theta energy: -208.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -2443.758739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2443.758739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2443.758739 (E_RNA)
where:
Base-Base interactions energy: -1617.450
where: short stacking energy: -693.978
Base-Backbone interact. energy: 0.399
local terms energy: -826.708437
where:
bonds (distance) C4'-P energy: -149.525
bonds (distance) P-C4' energy: -177.872
flat angles C4'-P-C4' energy: -170.528
flat angles P-C4'-P energy: -116.943
tors. eta vs tors. theta energy: -211.840
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: 305
Temperature: 1.150000
Total energy: -1978.666813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.666813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.666813 (E_RNA)
where:
Base-Base interactions energy: -1251.505
where: short stacking energy: -559.580
Base-Backbone interact. energy: 9.545
local terms energy: -736.706746
where:
bonds (distance) C4'-P energy: -161.738
bonds (distance) P-C4' energy: -167.681
flat angles C4'-P-C4' energy: -159.837
flat angles P-C4'-P energy: -101.048
tors. eta vs tors. theta energy: -146.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -1664.635950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.635950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.635950 (E_RNA)
where:
Base-Base interactions energy: -1012.197
where: short stacking energy: -459.157
Base-Backbone interact. energy: -0.477
local terms energy: -651.962545
where:
bonds (distance) C4'-P energy: -135.219
bonds (distance) P-C4' energy: -169.910
flat angles C4'-P-C4' energy: -137.994
flat angles P-C4'-P energy: -105.289
tors. eta vs tors. theta energy: -103.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -1301.158458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.158458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.158458 (E_RNA)
where:
Base-Base interactions energy: -722.050
where: short stacking energy: -337.008
Base-Backbone interact. energy: -2.788
local terms energy: -576.320378
where:
bonds (distance) C4'-P energy: -161.630
bonds (distance) P-C4' energy: -159.435
flat angles C4'-P-C4' energy: -145.361
flat angles P-C4'-P energy: -78.770
tors. eta vs tors. theta energy: -31.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -921.981396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.981396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.981396 (E_RNA)
where:
Base-Base interactions energy: -437.331
where: short stacking energy: -231.527
Base-Backbone interact. energy: 2.133
local terms energy: -486.783775
where:
bonds (distance) C4'-P energy: -143.200
bonds (distance) P-C4' energy: -160.539
flat angles C4'-P-C4' energy: -124.156
flat angles P-C4'-P energy: -75.266
tors. eta vs tors. theta energy: 16.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -815.253535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.253535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.253535 (E_RNA)
where:
Base-Base interactions energy: -331.183
where: short stacking energy: -221.776
Base-Backbone interact. energy: 2.445
local terms energy: -486.514725
where:
bonds (distance) C4'-P energy: -135.041
bonds (distance) P-C4' energy: -146.757
flat angles C4'-P-C4' energy: -133.262
flat angles P-C4'-P energy: -70.251
tors. eta vs tors. theta energy: -1.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -3010.772100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3010.772100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3010.772100 (E_RNA)
where:
Base-Base interactions energy: -2067.657
where: short stacking energy: -872.983
Base-Backbone interact. energy: -2.038
local terms energy: -941.076637
where:
bonds (distance) C4'-P energy: -165.448
bonds (distance) P-C4' energy: -174.764
flat angles C4'-P-C4' energy: -202.187
flat angles P-C4'-P energy: -127.791
tors. eta vs tors. theta energy: -270.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -2925.657952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2925.657952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2925.657952 (E_RNA)
where:
Base-Base interactions energy: -2024.924
where: short stacking energy: -844.404
Base-Backbone interact. energy: -7.201
local terms energy: -893.532838
where:
bonds (distance) C4'-P energy: -166.273
bonds (distance) P-C4' energy: -154.492
flat angles C4'-P-C4' energy: -189.703
flat angles P-C4'-P energy: -124.595
tors. eta vs tors. theta energy: -258.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -2697.023415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2697.023415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2697.023415 (E_RNA)
where:
Base-Base interactions energy: -1842.335
where: short stacking energy: -763.945
Base-Backbone interact. energy: 0.198
local terms energy: -854.886874
where:
bonds (distance) C4'-P energy: -169.538
bonds (distance) P-C4' energy: -166.346
flat angles C4'-P-C4' energy: -192.102
flat angles P-C4'-P energy: -111.383
tors. eta vs tors. theta energy: -215.518
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: 6
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -2596.412181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2596.412181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2596.412181 (E_RNA)
where:
Base-Base interactions energy: -1755.096
where: short stacking energy: -737.535
Base-Backbone interact. energy: -1.108
local terms energy: -840.208586
where:
bonds (distance) C4'-P energy: -149.391
bonds (distance) P-C4' energy: -171.465
flat angles C4'-P-C4' energy: -176.067
flat angles P-C4'-P energy: -123.845
tors. eta vs tors. theta energy: -219.440
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: 306
Temperature: 1.100000
Total energy: -2351.152915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2351.152915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2351.152915 (E_RNA)
where:
Base-Base interactions energy: -1582.505
where: short stacking energy: -650.200
Base-Backbone interact. energy: -4.808
local terms energy: -763.840083
where:
bonds (distance) C4'-P energy: -142.552
bonds (distance) P-C4' energy: -155.212
flat angles C4'-P-C4' energy: -175.858
flat angles P-C4'-P energy: -110.856
tors. eta vs tors. theta energy: -179.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -2038.611637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.611637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.611637 (E_RNA)
where:
Base-Base interactions energy: -1298.059
where: short stacking energy: -621.151
Base-Backbone interact. energy: 4.804
local terms energy: -745.355904
where:
bonds (distance) C4'-P energy: -132.266
bonds (distance) P-C4' energy: -161.319
flat angles C4'-P-C4' energy: -155.252
flat angles P-C4'-P energy: -129.801
tors. eta vs tors. theta energy: -166.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -1656.777115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.777115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.777115 (E_RNA)
where:
Base-Base interactions energy: -1013.967
where: short stacking energy: -448.931
Base-Backbone interact. energy: 1.139
local terms energy: -643.948983
where:
bonds (distance) C4'-P energy: -159.583
bonds (distance) P-C4' energy: -159.213
flat angles C4'-P-C4' energy: -158.333
flat angles P-C4'-P energy: -90.752
tors. eta vs tors. theta energy: -76.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -1322.807034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.807034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.807034 (E_RNA)
where:
Base-Base interactions energy: -758.505
where: short stacking energy: -395.625
Base-Backbone interact. energy: 0.401
local terms energy: -564.702845
where:
bonds (distance) C4'-P energy: -132.007
bonds (distance) P-C4' energy: -149.223
flat angles C4'-P-C4' energy: -134.408
flat angles P-C4'-P energy: -90.314
tors. eta vs tors. theta energy: -58.751
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: 306
Temperature: 1.300000
Total energy: -971.224281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.224281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.224281 (E_RNA)
where:
Base-Base interactions energy: -497.171
where: short stacking energy: -300.618
Base-Backbone interact. energy: -0.740
local terms energy: -473.313656
where:
bonds (distance) C4'-P energy: -126.140
bonds (distance) P-C4' energy: -143.655
flat angles C4'-P-C4' energy: -113.254
flat angles P-C4'-P energy: -81.734
tors. eta vs tors. theta energy: -8.530
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: 4
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -826.871621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.871621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.871621 (E_RNA)
where:
Base-Base interactions energy: -367.525
where: short stacking energy: -257.390
Base-Backbone interact. energy: 4.606
local terms energy: -463.952425
where:
bonds (distance) C4'-P energy: -163.513
bonds (distance) P-C4' energy: -140.212
flat angles C4'-P-C4' energy: -101.464
flat angles P-C4'-P energy: -73.185
tors. eta vs tors. theta energy: 14.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -3014.705834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3014.705834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3014.705834 (E_RNA)
where:
Base-Base interactions energy: -2067.338
where: short stacking energy: -867.297
Base-Backbone interact. energy: -1.988
local terms energy: -945.379888
where:
bonds (distance) C4'-P energy: -186.276
bonds (distance) P-C4' energy: -158.091
flat angles C4'-P-C4' energy: -199.872
flat angles P-C4'-P energy: -133.293
tors. eta vs tors. theta energy: -267.847
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: 2, replica: 10
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -2915.406906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2915.406906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2915.406906 (E_RNA)
where:
Base-Base interactions energy: -1972.674
where: short stacking energy: -842.313
Base-Backbone interact. energy: -2.800
local terms energy: -939.932151
where:
bonds (distance) C4'-P energy: -176.945
bonds (distance) P-C4' energy: -176.944
flat angles C4'-P-C4' energy: -201.532
flat angles P-C4'-P energy: -120.897
tors. eta vs tors. theta energy: -263.615
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: 3
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -2700.290405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2700.290405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2700.290405 (E_RNA)
where:
Base-Base interactions energy: -1850.008
where: short stacking energy: -755.996
Base-Backbone interact. energy: -4.198
local terms energy: -846.084180
where:
bonds (distance) C4'-P energy: -158.231
bonds (distance) P-C4' energy: -174.829
flat angles C4'-P-C4' energy: -173.450
flat angles P-C4'-P energy: -114.664
tors. eta vs tors. theta energy: -224.910
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: 307
Temperature: 1.050000
Total energy: -2589.133959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2589.133959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2589.133959 (E_RNA)
where:
Base-Base interactions energy: -1739.752
where: short stacking energy: -736.596
Base-Backbone interact. energy: 2.735
local terms energy: -852.117333
where:
bonds (distance) C4'-P energy: -170.224
bonds (distance) P-C4' energy: -175.410
flat angles C4'-P-C4' energy: -175.180
flat angles P-C4'-P energy: -110.347
tors. eta vs tors. theta energy: -220.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -2458.110955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2458.110955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2458.110955 (E_RNA)
where:
Base-Base interactions energy: -1606.931
where: short stacking energy: -699.225
Base-Backbone interact. energy: 0.390
local terms energy: -851.569568
where:
bonds (distance) C4'-P energy: -173.608
bonds (distance) P-C4' energy: -173.404
flat angles C4'-P-C4' energy: -178.418
flat angles P-C4'-P energy: -116.740
tors. eta vs tors. theta energy: -209.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -1993.088676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.088676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1993.088676 (E_RNA)
where:
Base-Base interactions energy: -1255.664
where: short stacking energy: -558.469
Base-Backbone interact. energy: 3.203
local terms energy: -740.627748
where:
bonds (distance) C4'-P energy: -152.338
bonds (distance) P-C4' energy: -153.495
flat angles C4'-P-C4' energy: -170.380
flat angles P-C4'-P energy: -129.998
tors. eta vs tors. theta energy: -134.416
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: 307
Temperature: 1.200000
Total energy: -1576.160878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.160878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.160878 (E_RNA)
where:
Base-Base interactions energy: -943.342
where: short stacking energy: -428.617
Base-Backbone interact. energy: -2.992
local terms energy: -629.826766
where:
bonds (distance) C4'-P energy: -163.745
bonds (distance) P-C4' energy: -155.267
flat angles C4'-P-C4' energy: -153.001
flat angles P-C4'-P energy: -92.071
tors. eta vs tors. theta energy: -65.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -1300.353960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.353960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.353960 (E_RNA)
where:
Base-Base interactions energy: -699.236
where: short stacking energy: -353.975
Base-Backbone interact. energy: 1.858
local terms energy: -602.975751
where:
bonds (distance) C4'-P energy: -135.707
bonds (distance) P-C4' energy: -153.700
flat angles C4'-P-C4' energy: -153.647
flat angles P-C4'-P energy: -95.029
tors. eta vs tors. theta energy: -64.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -937.419564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.419564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.419564 (E_RNA)
where:
Base-Base interactions energy: -439.747
where: short stacking energy: -247.391
Base-Backbone interact. energy: -1.746
local terms energy: -495.926233
where:
bonds (distance) C4'-P energy: -163.578
bonds (distance) P-C4' energy: -142.805
flat angles C4'-P-C4' energy: -129.173
flat angles P-C4'-P energy: -79.052
tors. eta vs tors. theta energy: 18.682
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: 4
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -792.343069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.343069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.343069 (E_RNA)
where:
Base-Base interactions energy: -348.842
where: short stacking energy: -192.863
Base-Backbone interact. energy: 0.797
local terms energy: -444.297386
where:
bonds (distance) C4'-P energy: -135.890
bonds (distance) P-C4' energy: -142.136
flat angles C4'-P-C4' energy: -116.414
flat angles P-C4'-P energy: -89.065
tors. eta vs tors. theta energy: 39.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -3025.066598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3025.066598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3025.066598 (E_RNA)
where:
Base-Base interactions energy: -2049.629
where: short stacking energy: -867.088
Base-Backbone interact. energy: -4.677
local terms energy: -970.760269
where:
bonds (distance) C4'-P energy: -185.312
bonds (distance) P-C4' energy: -185.132
flat angles C4'-P-C4' energy: -203.393
flat angles P-C4'-P energy: -134.161
tors. eta vs tors. theta energy: -262.762
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: 10
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -2926.643985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2926.643985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2926.643985 (E_RNA)
where:
Base-Base interactions energy: -1986.633
where: short stacking energy: -851.931
Base-Backbone interact. energy: -3.423
local terms energy: -936.587886
where:
bonds (distance) C4'-P energy: -165.666
bonds (distance) P-C4' energy: -187.529
flat angles C4'-P-C4' energy: -201.742
flat angles P-C4'-P energy: -125.577
tors. eta vs tors. theta energy: -256.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -2692.798821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2692.798821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2692.798821 (E_RNA)
where:
Base-Base interactions energy: -1862.294
where: short stacking energy: -730.237
Base-Backbone interact. energy: -2.762
local terms energy: -827.742240
where:
bonds (distance) C4'-P energy: -141.718
bonds (distance) P-C4' energy: -162.005
flat angles C4'-P-C4' energy: -177.951
flat angles P-C4'-P energy: -126.162
tors. eta vs tors. theta energy: -219.906
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: 4, replica: 6
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -2607.763300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2607.763300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2607.763300 (E_RNA)
where:
Base-Base interactions energy: -1753.119
where: short stacking energy: -759.422
Base-Backbone interact. energy: -3.329
local terms energy: -851.315486
where:
bonds (distance) C4'-P energy: -151.163
bonds (distance) P-C4' energy: -171.300
flat angles C4'-P-C4' energy: -177.706
flat angles P-C4'-P energy: -124.317
tors. eta vs tors. theta energy: -226.830
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: 5, replica: 1
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -2426.925783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2426.925783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2426.925783 (E_RNA)
where:
Base-Base interactions energy: -1628.504
where: short stacking energy: -665.042
Base-Backbone interact. energy: 2.444
local terms energy: -800.866270
where:
bonds (distance) C4'-P energy: -150.440
bonds (distance) P-C4' energy: -175.539
flat angles C4'-P-C4' energy: -178.968
flat angles P-C4'-P energy: -109.251
tors. eta vs tors. theta energy: -186.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -2023.321443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.321443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.321443 (E_RNA)
where:
Base-Base interactions energy: -1328.560
where: short stacking energy: -607.587
Base-Backbone interact. energy: 1.577
local terms energy: -696.338606
where:
bonds (distance) C4'-P energy: -135.857
bonds (distance) P-C4' energy: -164.361
flat angles C4'-P-C4' energy: -155.716
flat angles P-C4'-P energy: -107.687
tors. eta vs tors. theta energy: -132.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -1578.928000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.928000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.928000 (E_RNA)
where:
Base-Base interactions energy: -969.392
where: short stacking energy: -429.558
Base-Backbone interact. energy: -3.816
local terms energy: -605.720154
where:
bonds (distance) C4'-P energy: -134.316
bonds (distance) P-C4' energy: -163.655
flat angles C4'-P-C4' energy: -138.326
flat angles P-C4'-P energy: -83.633
tors. eta vs tors. theta energy: -85.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -1354.589708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.589708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.589708 (E_RNA)
where:
Base-Base interactions energy: -756.064
where: short stacking energy: -391.007
Base-Backbone interact. energy: 2.064
local terms energy: -600.589848
where:
bonds (distance) C4'-P energy: -157.958
bonds (distance) P-C4' energy: -162.260
flat angles C4'-P-C4' energy: -163.796
flat angles P-C4'-P energy: -61.061
tors. eta vs tors. theta energy: -55.515
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: 2
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -994.913956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.913956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.913956 (E_RNA)
where:
Base-Base interactions energy: -489.182
where: short stacking energy: -266.655
Base-Backbone interact. energy: -1.719
local terms energy: -504.013662
where:
bonds (distance) C4'-P energy: -131.980
bonds (distance) P-C4' energy: -167.383
flat angles C4'-P-C4' energy: -125.981
flat angles P-C4'-P energy: -79.837
tors. eta vs tors. theta energy: 1.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -848.700871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.700871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.700871 (E_RNA)
where:
Base-Base interactions energy: -410.383
where: short stacking energy: -226.872
Base-Backbone interact. energy: 4.806
local terms energy: -443.990231
where:
bonds (distance) C4'-P energy: -119.040
bonds (distance) P-C4' energy: -166.892
flat angles C4'-P-C4' energy: -112.342
flat angles P-C4'-P energy: -88.651
tors. eta vs tors. theta energy: 42.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.867 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -3008.343389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3008.343389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3008.343389 (E_RNA)
where:
Base-Base interactions energy: -2049.502
where: short stacking energy: -870.480
Base-Backbone interact. energy: -2.401
local terms energy: -956.440379
where:
bonds (distance) C4'-P energy: -174.497
bonds (distance) P-C4' energy: -178.520
flat angles C4'-P-C4' energy: -213.805
flat angles P-C4'-P energy: -122.476
tors. eta vs tors. theta energy: -267.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -2872.205912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2872.205912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2872.205912 (E_RNA)
where:
Base-Base interactions energy: -1952.267
where: short stacking energy: -827.819
Base-Backbone interact. energy: -2.849
local terms energy: -917.089921
where:
bonds (distance) C4'-P energy: -161.181
bonds (distance) P-C4' energy: -166.097
flat angles C4'-P-C4' energy: -204.082
flat angles P-C4'-P energy: -127.614
tors. eta vs tors. theta energy: -258.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -2679.802121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2679.802121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2679.802121 (E_RNA)
where:
Base-Base interactions energy: -1815.222
where: short stacking energy: -740.115
Base-Backbone interact. energy: -1.286
local terms energy: -863.293477
where:
bonds (distance) C4'-P energy: -164.495
bonds (distance) P-C4' energy: -177.247
flat angles C4'-P-C4' energy: -199.424
flat angles P-C4'-P energy: -113.631
tors. eta vs tors. theta energy: -208.497
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: 6
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -2562.853504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2562.853504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2562.853504 (E_RNA)
where:
Base-Base interactions energy: -1711.499
where: short stacking energy: -729.515
Base-Backbone interact. energy: -5.302
local terms energy: -846.051848
where:
bonds (distance) C4'-P energy: -148.835
bonds (distance) P-C4' energy: -165.086
flat angles C4'-P-C4' energy: -187.481
flat angles P-C4'-P energy: -121.438
tors. eta vs tors. theta energy: -223.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -2365.664429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2365.664429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2365.664429 (E_RNA)
where:
Base-Base interactions energy: -1579.316
where: short stacking energy: -659.166
Base-Backbone interact. energy: -1.164
local terms energy: -785.184526
where:
bonds (distance) C4'-P energy: -164.317
bonds (distance) P-C4' energy: -146.410
flat angles C4'-P-C4' energy: -192.437
flat angles P-C4'-P energy: -115.419
tors. eta vs tors. theta energy: -166.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -2013.055825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.055825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.055825 (E_RNA)
where:
Base-Base interactions energy: -1284.152
where: short stacking energy: -592.724
Base-Backbone interact. energy: -0.632
local terms energy: -728.272422
where:
bonds (distance) C4'-P energy: -149.891
bonds (distance) P-C4' energy: -132.784
flat angles C4'-P-C4' energy: -173.287
flat angles P-C4'-P energy: -102.728
tors. eta vs tors. theta energy: -169.583
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: 7, replica: 5
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -1583.271300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.271300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.271300 (E_RNA)
where:
Base-Base interactions energy: -951.434
where: short stacking energy: -446.610
Base-Backbone interact. energy: -0.972
local terms energy: -630.864976
where:
bonds (distance) C4'-P energy: -147.922
bonds (distance) P-C4' energy: -144.781
flat angles C4'-P-C4' energy: -163.539
flat angles P-C4'-P energy: -94.516
tors. eta vs tors. theta energy: -80.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -1303.867293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.867293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.867293 (E_RNA)
where:
Base-Base interactions energy: -704.594
where: short stacking energy: -380.003
Base-Backbone interact. energy: 1.447
local terms energy: -600.719568
where:
bonds (distance) C4'-P energy: -127.667
bonds (distance) P-C4' energy: -169.271
flat angles C4'-P-C4' energy: -143.380
flat angles P-C4'-P energy: -94.459
tors. eta vs tors. theta energy: -65.942
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: 2
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -965.762180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.762180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.762180 (E_RNA)
where:
Base-Base interactions energy: -464.567
where: short stacking energy: -274.941
Base-Backbone interact. energy: -1.166
local terms energy: -500.029724
where:
bonds (distance) C4'-P energy: -148.230
bonds (distance) P-C4' energy: -132.223
flat angles C4'-P-C4' energy: -141.852
flat angles P-C4'-P energy: -71.711
tors. eta vs tors. theta energy: -6.014
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: 4
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -833.349922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.349922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.349922 (E_RNA)
where:
Base-Base interactions energy: -382.764
where: short stacking energy: -212.283
Base-Backbone interact. energy: 0.211
local terms energy: -450.797103
where:
bonds (distance) C4'-P energy: -124.049
bonds (distance) P-C4' energy: -149.776
flat angles C4'-P-C4' energy: -136.246
flat angles P-C4'-P energy: -54.401
tors. eta vs tors. theta energy: 13.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -3026.533338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3026.533338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3026.533338 (E_RNA)
where:
Base-Base interactions energy: -2053.645
where: short stacking energy: -889.740
Base-Backbone interact. energy: -4.734
local terms energy: -968.153754
where:
bonds (distance) C4'-P energy: -184.312
bonds (distance) P-C4' energy: -175.612
flat angles C4'-P-C4' energy: -207.937
flat angles P-C4'-P energy: -131.141
tors. eta vs tors. theta energy: -269.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -2911.276229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2911.276229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2911.276229 (E_RNA)
where:
Base-Base interactions energy: -2012.040
where: short stacking energy: -873.354
Base-Backbone interact. energy: -4.052
local terms energy: -895.183657
where:
bonds (distance) C4'-P energy: -164.192
bonds (distance) P-C4' energy: -171.371
flat angles C4'-P-C4' energy: -197.170
flat angles P-C4'-P energy: -101.110
tors. eta vs tors. theta energy: -261.341
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: 3, replica: 3
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -2705.881057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2705.881057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2705.881057 (E_RNA)
where:
Base-Base interactions energy: -1827.202
where: short stacking energy: -752.901
Base-Backbone interact. energy: 3.733
local terms energy: -882.412291
where:
bonds (distance) C4'-P energy: -178.725
bonds (distance) P-C4' energy: -180.914
flat angles C4'-P-C4' energy: -187.726
flat angles P-C4'-P energy: -112.366
tors. eta vs tors. theta energy: -222.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -2609.129001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2609.129001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2609.129001 (E_RNA)
where:
Base-Base interactions energy: -1773.735
where: short stacking energy: -731.406
Base-Backbone interact. energy: -3.944
local terms energy: -831.449891
where:
bonds (distance) C4'-P energy: -149.044
bonds (distance) P-C4' energy: -175.283
flat angles C4'-P-C4' energy: -168.763
flat angles P-C4'-P energy: -112.208
tors. eta vs tors. theta energy: -226.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -2393.229495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2393.229495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2393.229495 (E_RNA)
where:
Base-Base interactions energy: -1586.651
where: short stacking energy: -674.229
Base-Backbone interact. energy: -3.983
local terms energy: -802.595319
where:
bonds (distance) C4'-P energy: -163.343
bonds (distance) P-C4' energy: -158.992
flat angles C4'-P-C4' energy: -185.531
flat angles P-C4'-P energy: -108.826
tors. eta vs tors. theta energy: -185.904
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: 6, replica: 9
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -1934.686030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.686030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.686030 (E_RNA)
where:
Base-Base interactions energy: -1241.053
where: short stacking energy: -557.541
Base-Backbone interact. energy: 0.863
local terms energy: -694.496508
where:
bonds (distance) C4'-P energy: -153.507
bonds (distance) P-C4' energy: -148.893
flat angles C4'-P-C4' energy: -169.710
flat angles P-C4'-P energy: -84.774
tors. eta vs tors. theta energy: -137.613
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: 7, replica: 5
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -1606.785389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.785389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.785389 (E_RNA)
where:
Base-Base interactions energy: -957.448
where: short stacking energy: -438.081
Base-Backbone interact. energy: 3.046
local terms energy: -652.384257
where:
bonds (distance) C4'-P energy: -164.966
bonds (distance) P-C4' energy: -165.524
flat angles C4'-P-C4' energy: -165.853
flat angles P-C4'-P energy: -89.530
tors. eta vs tors. theta energy: -66.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -1239.151108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.151108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.151108 (E_RNA)
where:
Base-Base interactions energy: -684.570
where: short stacking energy: -344.840
Base-Backbone interact. energy: 3.697
local terms energy: -558.278388
where:
bonds (distance) C4'-P energy: -127.015
bonds (distance) P-C4' energy: -152.687
flat angles C4'-P-C4' energy: -154.604
flat angles P-C4'-P energy: -82.767
tors. eta vs tors. theta energy: -41.206
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: 310
Temperature: 1.300000
Total energy: -1009.924167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.924167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.924167 (E_RNA)
where:
Base-Base interactions energy: -531.795
where: short stacking energy: -296.569
Base-Backbone interact. energy: 6.820
local terms energy: -484.949230
where:
bonds (distance) C4'-P energy: -133.487
bonds (distance) P-C4' energy: -148.193
flat angles C4'-P-C4' energy: -107.660
flat angles P-C4'-P energy: -78.950
tors. eta vs tors. theta energy: -16.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -792.272364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.272364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.272364 (E_RNA)
where:
Base-Base interactions energy: -340.502
where: short stacking energy: -208.826
Base-Backbone interact. energy: -2.515
local terms energy: -449.255221
where:
bonds (distance) C4'-P energy: -120.211
bonds (distance) P-C4' energy: -158.658
flat angles C4'-P-C4' energy: -125.300
flat angles P-C4'-P energy: -62.888
tors. eta vs tors. theta energy: 17.802
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: 1, replica: 7
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -3033.371533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3033.371533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3033.371533 (E_RNA)
where:
Base-Base interactions energy: -2062.563
where: short stacking energy: -890.528
Base-Backbone interact. energy: -2.401
local terms energy: -968.407966
where:
bonds (distance) C4'-P energy: -177.176
bonds (distance) P-C4' energy: -185.511
flat angles C4'-P-C4' energy: -200.347
flat angles P-C4'-P energy: -135.768
tors. eta vs tors. theta energy: -269.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -2939.932852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2939.932852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2939.932852 (E_RNA)
where:
Base-Base interactions energy: -2008.166
where: short stacking energy: -827.355
Base-Backbone interact. energy: -7.212
local terms energy: -924.555150
where:
bonds (distance) C4'-P energy: -167.113
bonds (distance) P-C4' energy: -191.640
flat angles C4'-P-C4' energy: -185.618
flat angles P-C4'-P energy: -134.339
tors. eta vs tors. theta energy: -245.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -2728.513231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2728.513231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2728.513231 (E_RNA)
where:
Base-Base interactions energy: -1872.879
where: short stacking energy: -747.708
Base-Backbone interact. energy: -0.307
local terms energy: -855.327268
where:
bonds (distance) C4'-P energy: -177.208
bonds (distance) P-C4' energy: -166.017
flat angles C4'-P-C4' energy: -174.179
flat angles P-C4'-P energy: -118.890
tors. eta vs tors. theta energy: -219.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -2531.900180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2531.900180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2531.900180 (E_RNA)
where:
Base-Base interactions energy: -1713.880
where: short stacking energy: -724.691
Base-Backbone interact. energy: -3.452
local terms energy: -814.568761
where:
bonds (distance) C4'-P energy: -150.013
bonds (distance) P-C4' energy: -154.112
flat angles C4'-P-C4' energy: -171.219
flat angles P-C4'-P energy: -113.894
tors. eta vs tors. theta energy: -225.330
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: 5, replica: 1
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -2386.651898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2386.651898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2386.651898 (E_RNA)
where:
Base-Base interactions energy: -1588.853
where: short stacking energy: -680.337
Base-Backbone interact. energy: -4.541
local terms energy: -793.257485
where:
bonds (distance) C4'-P energy: -162.658
bonds (distance) P-C4' energy: -157.936
flat angles C4'-P-C4' energy: -169.349
flat angles P-C4'-P energy: -113.798
tors. eta vs tors. theta energy: -189.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -1973.338284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.338284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.338284 (E_RNA)
where:
Base-Base interactions energy: -1262.054
where: short stacking energy: -569.095
Base-Backbone interact. energy: -1.590
local terms energy: -709.693998
where:
bonds (distance) C4'-P energy: -162.056
bonds (distance) P-C4' energy: -168.331
flat angles C4'-P-C4' energy: -150.503
flat angles P-C4'-P energy: -94.724
tors. eta vs tors. theta energy: -134.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -1640.913605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.913605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.913605 (E_RNA)
where:
Base-Base interactions energy: -1030.736
where: short stacking energy: -445.810
Base-Backbone interact. energy: -3.798
local terms energy: -606.379471
where:
bonds (distance) C4'-P energy: -132.714
bonds (distance) P-C4' energy: -168.185
flat angles C4'-P-C4' energy: -152.536
flat angles P-C4'-P energy: -85.106
tors. eta vs tors. theta energy: -67.839
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: 8
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -1214.004307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.004307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.004307 (E_RNA)
where:
Base-Base interactions energy: -628.475
where: short stacking energy: -292.225
Base-Backbone interact. energy: 3.089
local terms energy: -588.618878
where:
bonds (distance) C4'-P energy: -158.774
bonds (distance) P-C4' energy: -147.768
flat angles C4'-P-C4' energy: -152.903
flat angles P-C4'-P energy: -112.695
tors. eta vs tors. theta energy: -16.479
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: 9, replica: 2
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -1037.717612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.717612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.717612 (E_RNA)
where:
Base-Base interactions energy: -533.427
where: short stacking energy: -308.401
Base-Backbone interact. energy: -0.638
local terms energy: -503.651897
where:
bonds (distance) C4'-P energy: -143.550
bonds (distance) P-C4' energy: -156.317
flat angles C4'-P-C4' energy: -131.806
flat angles P-C4'-P energy: -56.221
tors. eta vs tors. theta energy: -15.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -759.659070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.659070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.659070 (E_RNA)
where:
Base-Base interactions energy: -326.667
where: short stacking energy: -199.192
Base-Backbone interact. energy: -0.104
local terms energy: -432.887410
where:
bonds (distance) C4'-P energy: -148.467
bonds (distance) P-C4' energy: -140.390
flat angles C4'-P-C4' energy: -110.637
flat angles P-C4'-P energy: -66.874
tors. eta vs tors. theta energy: 33.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -3049.670615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3049.670615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3049.670615 (E_RNA)
where:
Base-Base interactions energy: -2070.647
where: short stacking energy: -892.796
Base-Backbone interact. energy: -3.685
local terms energy: -975.337967
where:
bonds (distance) C4'-P energy: -171.626
bonds (distance) P-C4' energy: -185.715
flat angles C4'-P-C4' energy: -205.783
flat angles P-C4'-P energy: -140.753
tors. eta vs tors. theta energy: -271.462
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: 312
Temperature: 0.950000
Total energy: -2895.910059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2895.910059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2895.910059 (E_RNA)
where:
Base-Base interactions energy: -2017.119
where: short stacking energy: -828.536
Base-Backbone interact. energy: -0.526
local terms energy: -878.265658
where:
bonds (distance) C4'-P energy: -154.623
bonds (distance) P-C4' energy: -180.437
flat angles C4'-P-C4' energy: -187.065
flat angles P-C4'-P energy: -107.713
tors. eta vs tors. theta energy: -248.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -2714.290088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2714.290088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2714.290088 (E_RNA)
where:
Base-Base interactions energy: -1871.688
where: short stacking energy: -745.997
Base-Backbone interact. energy: -2.329
local terms energy: -840.272669
where:
bonds (distance) C4'-P energy: -151.390
bonds (distance) P-C4' energy: -162.403
flat angles C4'-P-C4' energy: -186.616
flat angles P-C4'-P energy: -125.091
tors. eta vs tors. theta energy: -214.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -2517.258416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2517.258416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2517.258416 (E_RNA)
where:
Base-Base interactions energy: -1690.521
where: short stacking energy: -696.632
Base-Backbone interact. energy: -0.105
local terms energy: -826.632068
where:
bonds (distance) C4'-P energy: -165.363
bonds (distance) P-C4' energy: -150.711
flat angles C4'-P-C4' energy: -195.489
flat angles P-C4'-P energy: -113.828
tors. eta vs tors. theta energy: -201.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -2354.457161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2354.457161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.457161 (E_RNA)
where:
Base-Base interactions energy: -1567.606
where: short stacking energy: -703.824
Base-Backbone interact. energy: -0.099
local terms energy: -786.752165
where:
bonds (distance) C4'-P energy: -167.328
bonds (distance) P-C4' energy: -153.229
flat angles C4'-P-C4' energy: -170.893
flat angles P-C4'-P energy: -110.621
tors. eta vs tors. theta energy: -184.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -1872.055850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.055850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.055850 (E_RNA)
where:
Base-Base interactions energy: -1159.731
where: short stacking energy: -541.451
Base-Backbone interact. energy: -3.337
local terms energy: -708.987541
where:
bonds (distance) C4'-P energy: -153.230
bonds (distance) P-C4' energy: -159.517
flat angles C4'-P-C4' energy: -164.239
flat angles P-C4'-P energy: -117.606
tors. eta vs tors. theta energy: -114.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -1572.596204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.596204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.596204 (E_RNA)
where:
Base-Base interactions energy: -950.557
where: short stacking energy: -456.164
Base-Backbone interact. energy: -2.855
local terms energy: -619.183625
where:
bonds (distance) C4'-P energy: -135.213
bonds (distance) P-C4' energy: -149.604
flat angles C4'-P-C4' energy: -160.364
flat angles P-C4'-P energy: -88.520
tors. eta vs tors. theta energy: -85.482
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: 8
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -1230.088033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.088033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.088033 (E_RNA)
where:
Base-Base interactions energy: -655.127
where: short stacking energy: -357.426
Base-Backbone interact. energy: -1.853
local terms energy: -573.108837
where:
bonds (distance) C4'-P energy: -134.469
bonds (distance) P-C4' energy: -166.313
flat angles C4'-P-C4' energy: -150.540
flat angles P-C4'-P energy: -88.685
tors. eta vs tors. theta energy: -33.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -973.833773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.833773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.833773 (E_RNA)
where:
Base-Base interactions energy: -520.746
where: short stacking energy: -293.685
Base-Backbone interact. energy: 3.468
local terms energy: -456.555703
where:
bonds (distance) C4'-P energy: -138.735
bonds (distance) P-C4' energy: -125.333
flat angles C4'-P-C4' energy: -128.188
flat angles P-C4'-P energy: -72.625
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: 4
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -767.024103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.024103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.024103 (E_RNA)
where:
Base-Base interactions energy: -312.226
where: short stacking energy: -204.717
Base-Backbone interact. energy: 0.404
local terms energy: -455.201485
where:
bonds (distance) C4'-P energy: -137.486
bonds (distance) P-C4' energy: -162.351
flat angles C4'-P-C4' energy: -140.849
flat angles P-C4'-P energy: -56.942
tors. eta vs tors. theta energy: 42.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -3022.058673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3022.058673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3022.058673 (E_RNA)
where:
Base-Base interactions energy: -2046.924
where: short stacking energy: -880.224
Base-Backbone interact. energy: -1.306
local terms energy: -973.828720
where:
bonds (distance) C4'-P energy: -174.541
bonds (distance) P-C4' energy: -179.094
flat angles C4'-P-C4' energy: -203.335
flat angles P-C4'-P energy: -153.883
tors. eta vs tors. theta energy: -262.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -2917.664326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2917.664326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2917.664326 (E_RNA)
where:
Base-Base interactions energy: -2014.648
where: short stacking energy: -864.429
Base-Backbone interact. energy: -4.596
local terms energy: -898.420521
where:
bonds (distance) C4'-P energy: -146.449
bonds (distance) P-C4' energy: -179.153
flat angles C4'-P-C4' energy: -203.824
flat angles P-C4'-P energy: -114.132
tors. eta vs tors. theta energy: -254.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -2746.080776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2746.080776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2746.080776 (E_RNA)
where:
Base-Base interactions energy: -1859.333
where: short stacking energy: -763.536
Base-Backbone interact. energy: -6.093
local terms energy: -880.654475
where:
bonds (distance) C4'-P energy: -164.665
bonds (distance) P-C4' energy: -181.224
flat angles C4'-P-C4' energy: -193.115
flat angles P-C4'-P energy: -121.252
tors. eta vs tors. theta energy: -220.398
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: 6
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -2613.199965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2613.199965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2613.199965 (E_RNA)
where:
Base-Base interactions energy: -1739.383
where: short stacking energy: -737.879
Base-Backbone interact. energy: -3.290
local terms energy: -870.526923
where:
bonds (distance) C4'-P energy: -175.395
bonds (distance) P-C4' energy: -163.454
flat angles C4'-P-C4' energy: -190.541
flat angles P-C4'-P energy: -125.569
tors. eta vs tors. theta energy: -215.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -2344.986703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2344.986703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2344.986703 (E_RNA)
where:
Base-Base interactions energy: -1540.910
where: short stacking energy: -666.440
Base-Backbone interact. energy: -6.846
local terms energy: -797.230540
where:
bonds (distance) C4'-P energy: -148.258
bonds (distance) P-C4' energy: -171.585
flat angles C4'-P-C4' energy: -184.912
flat angles P-C4'-P energy: -106.204
tors. eta vs tors. theta energy: -186.271
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: 9
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -1967.549364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.549364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.549364 (E_RNA)
where:
Base-Base interactions energy: -1261.266
where: short stacking energy: -601.775
Base-Backbone interact. energy: 3.298
local terms energy: -709.580993
where:
bonds (distance) C4'-P energy: -136.970
bonds (distance) P-C4' energy: -162.970
flat angles C4'-P-C4' energy: -161.074
flat angles P-C4'-P energy: -103.862
tors. eta vs tors. theta energy: -144.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -1648.177114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.177114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.177114 (E_RNA)
where:
Base-Base interactions energy: -993.628
where: short stacking energy: -461.626
Base-Backbone interact. energy: 2.795
local terms energy: -657.344958
where:
bonds (distance) C4'-P energy: -157.600
bonds (distance) P-C4' energy: -157.189
flat angles C4'-P-C4' energy: -148.607
flat angles P-C4'-P energy: -96.196
tors. eta vs tors. theta energy: -97.752
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: 8, replica: 8
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -1263.437798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.437798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.437798 (E_RNA)
where:
Base-Base interactions energy: -700.010
where: short stacking energy: -343.348
Base-Backbone interact. energy: -1.950
local terms energy: -561.477316
where:
bonds (distance) C4'-P energy: -150.189
bonds (distance) P-C4' energy: -174.047
flat angles C4'-P-C4' energy: -124.734
flat angles P-C4'-P energy: -69.174
tors. eta vs tors. theta energy: -43.333
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: 2
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -1023.238121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.238121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.238121 (E_RNA)
where:
Base-Base interactions energy: -527.026
where: short stacking energy: -291.417
Base-Backbone interact. energy: 5.508
local terms energy: -501.720341
where:
bonds (distance) C4'-P energy: -142.511
bonds (distance) P-C4' energy: -143.454
flat angles C4'-P-C4' energy: -126.913
flat angles P-C4'-P energy: -86.831
tors. eta vs tors. theta energy: -2.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -812.875412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.875412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.875412 (E_RNA)
where:
Base-Base interactions energy: -390.529
where: short stacking energy: -211.699
Base-Backbone interact. energy: 3.219
local terms energy: -425.565045
where:
bonds (distance) C4'-P energy: -115.436
bonds (distance) P-C4' energy: -136.580
flat angles C4'-P-C4' energy: -135.440
flat angles P-C4'-P energy: -66.807
tors. eta vs tors. theta energy: 28.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -3029.527925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3029.527925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3029.527925 (E_RNA)
where:
Base-Base interactions energy: -2036.795
where: short stacking energy: -876.550
Base-Backbone interact. energy: -2.915
local terms energy: -989.817838
where:
bonds (distance) C4'-P energy: -189.990
bonds (distance) P-C4' energy: -183.258
flat angles C4'-P-C4' energy: -201.838
flat angles P-C4'-P energy: -137.376
tors. eta vs tors. theta energy: -277.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -2950.377613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2950.377613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2950.377613 (E_RNA)
where:
Base-Base interactions energy: -2009.760
where: short stacking energy: -848.854
Base-Backbone interact. energy: -3.923
local terms energy: -936.694834
where:
bonds (distance) C4'-P energy: -193.453
bonds (distance) P-C4' energy: -169.689
flat angles C4'-P-C4' energy: -193.599
flat angles P-C4'-P energy: -122.413
tors. eta vs tors. theta energy: -257.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -2776.872217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2776.872217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2776.872217 (E_RNA)
where:
Base-Base interactions energy: -1917.619
where: short stacking energy: -784.272
Base-Backbone interact. energy: -2.203
local terms energy: -857.049474
where:
bonds (distance) C4'-P energy: -171.021
bonds (distance) P-C4' energy: -162.114
flat angles C4'-P-C4' energy: -189.168
flat angles P-C4'-P energy: -108.891
tors. eta vs tors. theta energy: -225.855
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: 4, replica: 6
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -2548.166799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2548.166799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2548.166799 (E_RNA)
where:
Base-Base interactions energy: -1709.177
where: short stacking energy: -703.547
Base-Backbone interact. energy: -3.200
local terms energy: -835.789737
where:
bonds (distance) C4'-P energy: -162.375
bonds (distance) P-C4' energy: -168.272
flat angles C4'-P-C4' energy: -184.663
flat angles P-C4'-P energy: -120.759
tors. eta vs tors. theta energy: -199.721
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: 1
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -2272.569187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2272.569187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2272.569187 (E_RNA)
where:
Base-Base interactions energy: -1484.838
where: short stacking energy: -631.071
Base-Backbone interact. energy: -4.250
local terms energy: -783.480478
where:
bonds (distance) C4'-P energy: -153.346
bonds (distance) P-C4' energy: -168.837
flat angles C4'-P-C4' energy: -166.473
flat angles P-C4'-P energy: -117.185
tors. eta vs tors. theta energy: -177.640
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: 6, replica: 9
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -1943.608331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.608331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.608331 (E_RNA)
where:
Base-Base interactions energy: -1192.118
where: short stacking energy: -555.568
Base-Backbone interact. energy: -2.543
local terms energy: -748.947939
where:
bonds (distance) C4'-P energy: -161.656
bonds (distance) P-C4' energy: -165.571
flat angles C4'-P-C4' energy: -165.445
flat angles P-C4'-P energy: -120.522
tors. eta vs tors. theta energy: -135.754
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: 7, replica: 5
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -1560.002746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.002746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.002746 (E_RNA)
where:
Base-Base interactions energy: -905.429
where: short stacking energy: -421.099
Base-Backbone interact. energy: 2.906
local terms energy: -657.479139
where:
bonds (distance) C4'-P energy: -142.584
bonds (distance) P-C4' energy: -172.359
flat angles C4'-P-C4' energy: -151.579
flat angles P-C4'-P energy: -98.627
tors. eta vs tors. theta energy: -92.330
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: 8
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -1240.883782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.883782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.883782 (E_RNA)
where:
Base-Base interactions energy: -690.612
where: short stacking energy: -392.342
Base-Backbone interact. energy: -0.164
local terms energy: -550.107710
where:
bonds (distance) C4'-P energy: -136.854
bonds (distance) P-C4' energy: -135.645
flat angles C4'-P-C4' energy: -145.464
flat angles P-C4'-P energy: -78.370
tors. eta vs tors. theta energy: -53.775
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: 9, replica: 2
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -1039.115414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.115414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.115414 (E_RNA)
where:
Base-Base interactions energy: -514.094
where: short stacking energy: -295.683
Base-Backbone interact. energy: 1.496
local terms energy: -526.516978
where:
bonds (distance) C4'-P energy: -141.568
bonds (distance) P-C4' energy: -154.461
flat angles C4'-P-C4' energy: -141.932
flat angles P-C4'-P energy: -84.716
tors. eta vs tors. theta energy: -3.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -822.341445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.341445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.341445 (E_RNA)
where:
Base-Base interactions energy: -404.291
where: short stacking energy: -242.974
Base-Backbone interact. energy: 9.865
local terms energy: -427.915530
where:
bonds (distance) C4'-P energy: -129.858
bonds (distance) P-C4' energy: -144.591
flat angles C4'-P-C4' energy: -102.764
flat angles P-C4'-P energy: -70.593
tors. eta vs tors. theta energy: 19.891
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: 1, replica: 7
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -3022.227081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3022.227081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3022.227081 (E_RNA)
where:
Base-Base interactions energy: -2042.951
where: short stacking energy: -867.763
Base-Backbone interact. energy: -4.483
local terms energy: -974.793625
where:
bonds (distance) C4'-P energy: -179.180
bonds (distance) P-C4' energy: -184.221
flat angles C4'-P-C4' energy: -202.854
flat angles P-C4'-P energy: -136.704
tors. eta vs tors. theta energy: -271.835
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: 10
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -2959.998412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2959.998412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2959.998412 (E_RNA)
where:
Base-Base interactions energy: -2041.407
where: short stacking energy: -845.071
Base-Backbone interact. energy: -4.999
local terms energy: -913.591957
where:
bonds (distance) C4'-P energy: -148.792
bonds (distance) P-C4' energy: -182.133
flat angles C4'-P-C4' energy: -198.183
flat angles P-C4'-P energy: -134.455
tors. eta vs tors. theta energy: -250.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -2769.894971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2769.894971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2769.894971 (E_RNA)
where:
Base-Base interactions energy: -1914.691
where: short stacking energy: -781.597
Base-Backbone interact. energy: -8.476
local terms energy: -846.728159
where:
bonds (distance) C4'-P energy: -176.812
bonds (distance) P-C4' energy: -163.980
flat angles C4'-P-C4' energy: -183.517
flat angles P-C4'-P energy: -106.127
tors. eta vs tors. theta energy: -216.293
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: 6
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -2566.867918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.867918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2566.867918 (E_RNA)
where:
Base-Base interactions energy: -1715.628
where: short stacking energy: -744.449
Base-Backbone interact. energy: -3.639
local terms energy: -847.600761
where:
bonds (distance) C4'-P energy: -159.650
bonds (distance) P-C4' energy: -176.664
flat angles C4'-P-C4' energy: -193.537
flat angles P-C4'-P energy: -118.191
tors. eta vs tors. theta energy: -199.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -2294.501295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2294.501295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2294.501295 (E_RNA)
where:
Base-Base interactions energy: -1498.470
where: short stacking energy: -650.665
Base-Backbone interact. energy: -4.074
local terms energy: -791.957369
where:
bonds (distance) C4'-P energy: -151.551
bonds (distance) P-C4' energy: -161.674
flat angles C4'-P-C4' energy: -181.957
flat angles P-C4'-P energy: -111.926
tors. eta vs tors. theta energy: -184.850
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: 315
Temperature: 1.150000
Total energy: -1913.237745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.237745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.237745 (E_RNA)
where:
Base-Base interactions energy: -1198.358
where: short stacking energy: -569.360
Base-Backbone interact. energy: -2.772
local terms energy: -712.108666
where:
bonds (distance) C4'-P energy: -159.996
bonds (distance) P-C4' energy: -166.630
flat angles C4'-P-C4' energy: -149.194
flat angles P-C4'-P energy: -107.157
tors. eta vs tors. theta energy: -129.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -1563.520417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.520417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.520417 (E_RNA)
where:
Base-Base interactions energy: -944.278
where: short stacking energy: -454.723
Base-Backbone interact. energy: 1.175
local terms energy: -620.417248
where:
bonds (distance) C4'-P energy: -146.569
bonds (distance) P-C4' energy: -160.410
flat angles C4'-P-C4' energy: -147.018
flat angles P-C4'-P energy: -83.810
tors. eta vs tors. theta energy: -82.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -1262.970642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.970642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.970642 (E_RNA)
where:
Base-Base interactions energy: -704.096
where: short stacking energy: -346.027
Base-Backbone interact. energy: -0.699
local terms energy: -558.175434
where:
bonds (distance) C4'-P energy: -162.306
bonds (distance) P-C4' energy: -161.279
flat angles C4'-P-C4' energy: -130.570
flat angles P-C4'-P energy: -62.414
tors. eta vs tors. theta energy: -41.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -971.333549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.333549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.333549 (E_RNA)
where:
Base-Base interactions energy: -475.182
where: short stacking energy: -248.620
Base-Backbone interact. energy: -4.999
local terms energy: -491.153119
where:
bonds (distance) C4'-P energy: -141.386
bonds (distance) P-C4' energy: -162.540
flat angles C4'-P-C4' energy: -142.111
flat angles P-C4'-P energy: -50.009
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: 4
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -799.740928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.740928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.740928 (E_RNA)
where:
Base-Base interactions energy: -336.605
where: short stacking energy: -218.156
Base-Backbone interact. energy: 5.351
local terms energy: -468.486341
where:
bonds (distance) C4'-P energy: -157.011
bonds (distance) P-C4' energy: -163.470
flat angles C4'-P-C4' energy: -114.588
flat angles P-C4'-P energy: -58.134
tors. eta vs tors. theta energy: 24.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -3028.686514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3028.686514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3028.686514 (E_RNA)
where:
Base-Base interactions energy: -2069.414
where: short stacking energy: -890.494
Base-Backbone interact. energy: -2.183
local terms energy: -957.089491
where:
bonds (distance) C4'-P energy: -173.978
bonds (distance) P-C4' energy: -180.245
flat angles C4'-P-C4' energy: -203.873
flat angles P-C4'-P energy: -131.087
tors. eta vs tors. theta energy: -267.907
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: 10
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -2914.179757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2914.179757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2914.179757 (E_RNA)
where:
Base-Base interactions energy: -1989.950
where: short stacking energy: -841.441
Base-Backbone interact. energy: -8.339
local terms energy: -915.890666
where:
bonds (distance) C4'-P energy: -165.839
bonds (distance) P-C4' energy: -187.143
flat angles C4'-P-C4' energy: -190.691
flat angles P-C4'-P energy: -107.842
tors. eta vs tors. theta energy: -264.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -2690.641887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2690.641887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2690.641887 (E_RNA)
where:
Base-Base interactions energy: -1843.164
where: short stacking energy: -761.046
Base-Backbone interact. energy: -1.331
local terms energy: -846.147164
where:
bonds (distance) C4'-P energy: -164.165
bonds (distance) P-C4' energy: -166.322
flat angles C4'-P-C4' energy: -181.409
flat angles P-C4'-P energy: -119.181
tors. eta vs tors. theta energy: -215.071
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: 4, replica: 6
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -2538.076213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2538.076213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2538.076213 (E_RNA)
where:
Base-Base interactions energy: -1709.950
where: short stacking energy: -751.671
Base-Backbone interact. energy: 2.084
local terms energy: -830.210525
where:
bonds (distance) C4'-P energy: -163.894
bonds (distance) P-C4' energy: -161.445
flat angles C4'-P-C4' energy: -185.800
flat angles P-C4'-P energy: -108.302
tors. eta vs tors. theta energy: -210.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -2272.522227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2272.522227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2272.522227 (E_RNA)
where:
Base-Base interactions energy: -1509.370
where: short stacking energy: -638.327
Base-Backbone interact. energy: -2.835
local terms energy: -760.317086
where:
bonds (distance) C4'-P energy: -139.878
bonds (distance) P-C4' energy: -166.910
flat angles C4'-P-C4' energy: -174.546
flat angles P-C4'-P energy: -124.422
tors. eta vs tors. theta energy: -154.561
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: 6, replica: 9
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -1935.714517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.714517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.714517 (E_RNA)
where:
Base-Base interactions energy: -1203.098
where: short stacking energy: -543.519
Base-Backbone interact. energy: -3.918
local terms energy: -728.698811
where:
bonds (distance) C4'-P energy: -157.624
bonds (distance) P-C4' energy: -178.972
flat angles C4'-P-C4' energy: -147.941
flat angles P-C4'-P energy: -103.151
tors. eta vs tors. theta energy: -141.011
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: 7, replica: 5
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -1447.750496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.750496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.750496 (E_RNA)
where:
Base-Base interactions energy: -862.463
where: short stacking energy: -427.381
Base-Backbone interact. energy: -3.671
local terms energy: -581.615920
where:
bonds (distance) C4'-P energy: -149.459
bonds (distance) P-C4' energy: -150.457
flat angles C4'-P-C4' energy: -140.277
flat angles P-C4'-P energy: -85.699
tors. eta vs tors. theta energy: -55.724
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: 8
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -1264.190366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.190366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.190366 (E_RNA)
where:
Base-Base interactions energy: -710.861
where: short stacking energy: -358.941
Base-Backbone interact. energy: -0.413
local terms energy: -552.916371
where:
bonds (distance) C4'-P energy: -145.185
bonds (distance) P-C4' energy: -126.087
flat angles C4'-P-C4' energy: -155.172
flat angles P-C4'-P energy: -93.465
tors. eta vs tors. theta energy: -33.007
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: 9, replica: 2
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -991.266758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.266758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.266758 (E_RNA)
where:
Base-Base interactions energy: -483.392
where: short stacking energy: -261.526
Base-Backbone interact. energy: -2.126
local terms energy: -505.749062
where:
bonds (distance) C4'-P energy: -156.502
bonds (distance) P-C4' energy: -158.060
flat angles C4'-P-C4' energy: -120.964
flat angles P-C4'-P energy: -71.889
tors. eta vs tors. theta energy: 1.666
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: 10, replica: 4
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -797.232296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.232296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.232296 (E_RNA)
where:
Base-Base interactions energy: -352.602
where: short stacking energy: -232.183
Base-Backbone interact. energy: -0.628
local terms energy: -444.002323
where:
bonds (distance) C4'-P energy: -152.538
bonds (distance) P-C4' energy: -138.953
flat angles C4'-P-C4' energy: -125.986
flat angles P-C4'-P energy: -60.117
tors. eta vs tors. theta energy: 33.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -3035.545853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3035.545853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3035.545853 (E_RNA)
where:
Base-Base interactions energy: -2068.636
where: short stacking energy: -885.875
Base-Backbone interact. energy: -0.589
local terms energy: -966.321589
where:
bonds (distance) C4'-P energy: -177.155
bonds (distance) P-C4' energy: -174.168
flat angles C4'-P-C4' energy: -203.203
flat angles P-C4'-P energy: -152.967
tors. eta vs tors. theta energy: -258.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -2891.343331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2891.343331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2891.343331 (E_RNA)
where:
Base-Base interactions energy: -1977.551
where: short stacking energy: -818.492
Base-Backbone interact. energy: -7.291
local terms energy: -906.501454
where:
bonds (distance) C4'-P energy: -175.260
bonds (distance) P-C4' energy: -163.219
flat angles C4'-P-C4' energy: -186.825
flat angles P-C4'-P energy: -125.974
tors. eta vs tors. theta energy: -255.223
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: 3
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -2678.595334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2678.595334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2678.595334 (E_RNA)
where:
Base-Base interactions energy: -1840.970
where: short stacking energy: -736.945
Base-Backbone interact. energy: -0.307
local terms energy: -837.317714
where:
bonds (distance) C4'-P energy: -161.980
bonds (distance) P-C4' energy: -166.747
flat angles C4'-P-C4' energy: -188.342
flat angles P-C4'-P energy: -117.449
tors. eta vs tors. theta energy: -202.800
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: 6
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -2516.807830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2516.807830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2516.807830 (E_RNA)
where:
Base-Base interactions energy: -1714.264
where: short stacking energy: -727.039
Base-Backbone interact. energy: -1.989
local terms energy: -800.555655
where:
bonds (distance) C4'-P energy: -161.373
bonds (distance) P-C4' energy: -160.583
flat angles C4'-P-C4' energy: -176.263
flat angles P-C4'-P energy: -108.891
tors. eta vs tors. theta energy: -193.445
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: 1
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -2239.472541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2239.472541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2239.472541 (E_RNA)
where:
Base-Base interactions energy: -1460.963
where: short stacking energy: -644.691
Base-Backbone interact. energy: 2.467
local terms energy: -780.976262
where:
bonds (distance) C4'-P energy: -159.967
bonds (distance) P-C4' energy: -145.464
flat angles C4'-P-C4' energy: -179.898
flat angles P-C4'-P energy: -114.000
tors. eta vs tors. theta energy: -181.647
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: 9
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -1945.873548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.873548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.873548 (E_RNA)
where:
Base-Base interactions energy: -1217.867
where: short stacking energy: -540.714
Base-Backbone interact. energy: -0.451
local terms energy: -727.555369
where:
bonds (distance) C4'-P energy: -132.584
bonds (distance) P-C4' energy: -187.968
flat angles C4'-P-C4' energy: -157.645
flat angles P-C4'-P energy: -106.841
tors. eta vs tors. theta energy: -142.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -1424.246778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.246778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.246778 (E_RNA)
where:
Base-Base interactions energy: -819.717
where: short stacking energy: -386.208
Base-Backbone interact. energy: 2.872
local terms energy: -607.402060
where:
bonds (distance) C4'-P energy: -157.912
bonds (distance) P-C4' energy: -153.482
flat angles C4'-P-C4' energy: -140.321
flat angles P-C4'-P energy: -94.415
tors. eta vs tors. theta energy: -61.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -1334.887971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.887971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.887971 (E_RNA)
where:
Base-Base interactions energy: -749.581
where: short stacking energy: -394.353
Base-Backbone interact. energy: -2.277
local terms energy: -583.030176
where:
bonds (distance) C4'-P energy: -143.626
bonds (distance) P-C4' energy: -160.248
flat angles C4'-P-C4' energy: -143.414
flat angles P-C4'-P energy: -80.499
tors. eta vs tors. theta energy: -55.244
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: 9, replica: 2
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -1025.779589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.779589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.779589 (E_RNA)
where:
Base-Base interactions energy: -533.217
where: short stacking energy: -298.505
Base-Backbone interact. energy: 2.788
local terms energy: -495.349945
where:
bonds (distance) C4'-P energy: -148.951
bonds (distance) P-C4' energy: -164.610
flat angles C4'-P-C4' energy: -118.517
flat angles P-C4'-P energy: -61.430
tors. eta vs tors. theta energy: -1.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -811.866347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.866347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.866347 (E_RNA)
where:
Base-Base interactions energy: -347.572
where: short stacking energy: -207.684
Base-Backbone interact. energy: -3.205
local terms energy: -461.089199
where:
bonds (distance) C4'-P energy: -155.822
bonds (distance) P-C4' energy: -130.783
flat angles C4'-P-C4' energy: -114.913
flat angles P-C4'-P energy: -72.668
tors. eta vs tors. theta energy: 13.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -3068.126453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3068.126453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3068.126453 (E_RNA)
where:
Base-Base interactions energy: -2080.828
where: short stacking energy: -862.279
Base-Backbone interact. energy: -2.207
local terms energy: -985.090648
where:
bonds (distance) C4'-P energy: -189.208
bonds (distance) P-C4' energy: -190.120
flat angles C4'-P-C4' energy: -191.754
flat angles P-C4'-P energy: -147.222
tors. eta vs tors. theta energy: -266.787
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: 10
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -2896.041250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2896.041250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2896.041250 (E_RNA)
where:
Base-Base interactions energy: -1923.119
where: short stacking energy: -819.300
Base-Backbone interact. energy: -5.264
local terms energy: -967.658413
where:
bonds (distance) C4'-P energy: -185.322
bonds (distance) P-C4' energy: -171.119
flat angles C4'-P-C4' energy: -210.677
flat angles P-C4'-P energy: -144.624
tors. eta vs tors. theta energy: -255.916
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: 3
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -2703.874116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2703.874116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2703.874116 (E_RNA)
where:
Base-Base interactions energy: -1850.511
where: short stacking energy: -766.965
Base-Backbone interact. energy: -0.733
local terms energy: -852.630821
where:
bonds (distance) C4'-P energy: -166.318
bonds (distance) P-C4' energy: -164.066
flat angles C4'-P-C4' energy: -188.190
flat angles P-C4'-P energy: -123.425
tors. eta vs tors. theta energy: -210.632
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: 6
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -2565.532762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2565.532762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2565.532762 (E_RNA)
where:
Base-Base interactions energy: -1754.044
where: short stacking energy: -731.399
Base-Backbone interact. energy: 1.024
local terms energy: -812.512165
where:
bonds (distance) C4'-P energy: -166.927
bonds (distance) P-C4' energy: -165.782
flat angles C4'-P-C4' energy: -181.632
flat angles P-C4'-P energy: -114.402
tors. eta vs tors. theta energy: -183.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -2275.725598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2275.725598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2275.725598 (E_RNA)
where:
Base-Base interactions energy: -1516.981
where: short stacking energy: -648.372
Base-Backbone interact. energy: -3.327
local terms energy: -755.417289
where:
bonds (distance) C4'-P energy: -144.116
bonds (distance) P-C4' energy: -155.008
flat angles C4'-P-C4' energy: -180.854
flat angles P-C4'-P energy: -101.308
tors. eta vs tors. theta energy: -174.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -1896.193620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.193620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.193620 (E_RNA)
where:
Base-Base interactions energy: -1210.397
where: short stacking energy: -528.780
Base-Backbone interact. energy: -2.304
local terms energy: -683.492933
where:
bonds (distance) C4'-P energy: -166.704
bonds (distance) P-C4' energy: -143.826
flat angles C4'-P-C4' energy: -156.869
flat angles P-C4'-P energy: -96.378
tors. eta vs tors. theta energy: -119.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -1421.453466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.453466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.453466 (E_RNA)
where:
Base-Base interactions energy: -834.152
where: short stacking energy: -406.345
Base-Backbone interact. energy: -3.819
local terms energy: -583.482570
where:
bonds (distance) C4'-P energy: -133.209
bonds (distance) P-C4' energy: -140.397
flat angles C4'-P-C4' energy: -174.706
flat angles P-C4'-P energy: -79.320
tors. eta vs tors. theta energy: -55.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -1303.454856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.454856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.454856 (E_RNA)
where:
Base-Base interactions energy: -728.600
where: short stacking energy: -372.485
Base-Backbone interact. energy: -2.004
local terms energy: -572.850415
where:
bonds (distance) C4'-P energy: -159.964
bonds (distance) P-C4' energy: -144.907
flat angles C4'-P-C4' energy: -162.087
flat angles P-C4'-P energy: -71.966
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: 9, replica: 2
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -1014.330447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.330447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.330447 (E_RNA)
where:
Base-Base interactions energy: -561.494
where: short stacking energy: -289.540
Base-Backbone interact. energy: 7.502
local terms energy: -460.338410
where:
bonds (distance) C4'-P energy: -144.116
bonds (distance) P-C4' energy: -127.660
flat angles C4'-P-C4' energy: -134.124
flat angles P-C4'-P energy: -71.119
tors. eta vs tors. theta energy: 16.681
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: 4
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -795.429841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.429841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.429841 (E_RNA)
where:
Base-Base interactions energy: -355.494
where: short stacking energy: -206.792
Base-Backbone interact. energy: 0.248
local terms energy: -440.183244
where:
bonds (distance) C4'-P energy: -139.099
bonds (distance) P-C4' energy: -149.470
flat angles C4'-P-C4' energy: -110.058
flat angles P-C4'-P energy: -53.333
tors. eta vs tors. theta energy: 11.777
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: 7
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -3045.749808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3045.749808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3045.749808 (E_RNA)
where:
Base-Base interactions energy: -2084.430
where: short stacking energy: -835.794
Base-Backbone interact. energy: -0.591
local terms energy: -960.728925
where:
bonds (distance) C4'-P energy: -181.050
bonds (distance) P-C4' energy: -190.161
flat angles C4'-P-C4' energy: -209.550
flat angles P-C4'-P energy: -120.463
tors. eta vs tors. theta energy: -259.505
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: 10
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -2903.119321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2903.119321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2903.119321 (E_RNA)
where:
Base-Base interactions energy: -1969.915
where: short stacking energy: -830.512
Base-Backbone interact. energy: -6.482
local terms energy: -926.722354
where:
bonds (distance) C4'-P energy: -144.973
bonds (distance) P-C4' energy: -181.887
flat angles C4'-P-C4' energy: -204.889
flat angles P-C4'-P energy: -137.913
tors. eta vs tors. theta energy: -257.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -2703.966516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2703.966516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2703.966516 (E_RNA)
where:
Base-Base interactions energy: -1826.851
where: short stacking energy: -749.802
Base-Backbone interact. energy: 0.946
local terms energy: -878.061750
where:
bonds (distance) C4'-P energy: -175.906
bonds (distance) P-C4' energy: -176.907
flat angles C4'-P-C4' energy: -190.188
flat angles P-C4'-P energy: -119.718
tors. eta vs tors. theta energy: -215.343
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: 4, replica: 6
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -2583.287167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2583.287167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.287167 (E_RNA)
where:
Base-Base interactions energy: -1751.919
where: short stacking energy: -722.549
Base-Backbone interact. energy: -0.972
local terms energy: -830.395805
where:
bonds (distance) C4'-P energy: -152.746
bonds (distance) P-C4' energy: -180.577
flat angles C4'-P-C4' energy: -174.190
flat angles P-C4'-P energy: -110.862
tors. eta vs tors. theta energy: -212.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -2325.720542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2325.720542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.720542 (E_RNA)
where:
Base-Base interactions energy: -1555.421
where: short stacking energy: -690.323
Base-Backbone interact. energy: -0.956
local terms energy: -769.343622
where:
bonds (distance) C4'-P energy: -133.277
bonds (distance) P-C4' energy: -155.530
flat angles C4'-P-C4' energy: -168.496
flat angles P-C4'-P energy: -117.398
tors. eta vs tors. theta energy: -194.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -1885.946931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.946931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.946931 (E_RNA)
where:
Base-Base interactions energy: -1120.996
where: short stacking energy: -538.689
Base-Backbone interact. energy: 3.219
local terms energy: -768.170437
where:
bonds (distance) C4'-P energy: -169.605
bonds (distance) P-C4' energy: -174.470
flat angles C4'-P-C4' energy: -180.662
flat angles P-C4'-P energy: -110.603
tors. eta vs tors. theta energy: -132.830
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: 7, replica: 5
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -1432.822823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.822823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.822823 (E_RNA)
where:
Base-Base interactions energy: -783.978
where: short stacking energy: -417.149
Base-Backbone interact. energy: -2.496
local terms energy: -646.348865
where:
bonds (distance) C4'-P energy: -165.796
bonds (distance) P-C4' energy: -154.572
flat angles C4'-P-C4' energy: -151.074
flat angles P-C4'-P energy: -95.969
tors. eta vs tors. theta energy: -78.937
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: 8, replica: 8
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -1234.745260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.745260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.745260 (E_RNA)
where:
Base-Base interactions energy: -666.898
where: short stacking energy: -345.213
Base-Backbone interact. energy: 3.703
local terms energy: -571.549958
where:
bonds (distance) C4'-P energy: -146.965
bonds (distance) P-C4' energy: -137.566
flat angles C4'-P-C4' energy: -150.758
flat angles P-C4'-P energy: -84.774
tors. eta vs tors. theta energy: -51.486
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: 2
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -1008.333652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.333652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.333652 (E_RNA)
where:
Base-Base interactions energy: -519.425
where: short stacking energy: -260.147
Base-Backbone interact. energy: 9.268
local terms energy: -498.176982
where:
bonds (distance) C4'-P energy: -150.497
bonds (distance) P-C4' energy: -145.088
flat angles C4'-P-C4' energy: -121.398
flat angles P-C4'-P energy: -94.966
tors. eta vs tors. theta energy: 13.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -810.494649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.494649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.494649 (E_RNA)
where:
Base-Base interactions energy: -370.461
where: short stacking energy: -250.265
Base-Backbone interact. energy: -2.319
local terms energy: -437.714081
where:
bonds (distance) C4'-P energy: -133.282
bonds (distance) P-C4' energy: -139.927
flat angles C4'-P-C4' energy: -121.161
flat angles P-C4'-P energy: -61.017
tors. eta vs tors. theta energy: 17.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -3062.384711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3062.384711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3062.384711 (E_RNA)
where:
Base-Base interactions energy: -2107.484
where: short stacking energy: -890.696
Base-Backbone interact. energy: -2.205
local terms energy: -952.695380
where:
bonds (distance) C4'-P energy: -165.255
bonds (distance) P-C4' energy: -187.153
flat angles C4'-P-C4' energy: -197.283
flat angles P-C4'-P energy: -130.426
tors. eta vs tors. theta energy: -272.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -2906.618376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2906.618376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2906.618376 (E_RNA)
where:
Base-Base interactions energy: -1999.147
where: short stacking energy: -826.503
Base-Backbone interact. energy: -4.320
local terms energy: -903.151471
where:
bonds (distance) C4'-P energy: -172.170
bonds (distance) P-C4' energy: -169.955
flat angles C4'-P-C4' energy: -185.010
flat angles P-C4'-P energy: -131.273
tors. eta vs tors. theta energy: -244.743
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: 3
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -2790.227808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2790.227808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2790.227808 (E_RNA)
where:
Base-Base interactions energy: -1912.414
where: short stacking energy: -748.788
Base-Backbone interact. energy: -0.875
local terms energy: -876.938507
where:
bonds (distance) C4'-P energy: -176.830
bonds (distance) P-C4' energy: -189.374
flat angles C4'-P-C4' energy: -187.092
flat angles P-C4'-P energy: -116.611
tors. eta vs tors. theta energy: -207.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -2559.837849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2559.837849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2559.837849 (E_RNA)
where:
Base-Base interactions energy: -1726.271
where: short stacking energy: -726.559
Base-Backbone interact. energy: -0.547
local terms energy: -833.020328
where:
bonds (distance) C4'-P energy: -171.232
bonds (distance) P-C4' energy: -158.297
flat angles C4'-P-C4' energy: -188.360
flat angles P-C4'-P energy: -108.610
tors. eta vs tors. theta energy: -206.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -2231.330924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2231.330924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2231.330924 (E_RNA)
where:
Base-Base interactions energy: -1485.760
where: short stacking energy: -595.785
Base-Backbone interact. energy: 1.943
local terms energy: -747.514666
where:
bonds (distance) C4'-P energy: -158.754
bonds (distance) P-C4' energy: -164.540
flat angles C4'-P-C4' energy: -165.837
flat angles P-C4'-P energy: -100.953
tors. eta vs tors. theta energy: -157.431
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: 6, replica: 9
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -1954.409725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.409725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.409725 (E_RNA)
where:
Base-Base interactions energy: -1225.448
where: short stacking energy: -583.853
Base-Backbone interact. energy: -4.152
local terms energy: -724.809427
where:
bonds (distance) C4'-P energy: -158.534
bonds (distance) P-C4' energy: -161.866
flat angles C4'-P-C4' energy: -174.189
flat angles P-C4'-P energy: -81.911
tors. eta vs tors. theta energy: -148.309
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: 5
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -1429.598987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.598987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.598987 (E_RNA)
where:
Base-Base interactions energy: -839.035
where: short stacking energy: -416.378
Base-Backbone interact. energy: 2.842
local terms energy: -593.406529
where:
bonds (distance) C4'-P energy: -142.187
bonds (distance) P-C4' energy: -133.666
flat angles C4'-P-C4' energy: -150.524
flat angles P-C4'-P energy: -80.055
tors. eta vs tors. theta energy: -86.975
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: 8, replica: 8
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -1248.866825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.866825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.866825 (E_RNA)
where:
Base-Base interactions energy: -665.775
where: short stacking energy: -385.925
Base-Backbone interact. energy: -0.335
local terms energy: -582.756936
where:
bonds (distance) C4'-P energy: -127.285
bonds (distance) P-C4' energy: -160.758
flat angles C4'-P-C4' energy: -147.304
flat angles P-C4'-P energy: -84.623
tors. eta vs tors. theta energy: -62.787
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: 320
Temperature: 1.300000
Total energy: -1008.632375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.632375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.632375 (E_RNA)
where:
Base-Base interactions energy: -498.046
where: short stacking energy: -275.128
Base-Backbone interact. energy: 2.797
local terms energy: -513.383742
where:
bonds (distance) C4'-P energy: -144.849
bonds (distance) P-C4' energy: -145.105
flat angles C4'-P-C4' energy: -124.597
flat angles P-C4'-P energy: -86.684
tors. eta vs tors. theta energy: -12.150
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: 4
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -767.700129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.700129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.700129 (E_RNA)
where:
Base-Base interactions energy: -301.859
where: short stacking energy: -207.305
Base-Backbone interact. energy: -1.224
local terms energy: -464.616858
where:
bonds (distance) C4'-P energy: -145.100
bonds (distance) P-C4' energy: -144.403
flat angles C4'-P-C4' energy: -117.718
flat angles P-C4'-P energy: -81.601
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: 1, replica: 7
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -3047.977378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3047.977378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3047.977378 (E_RNA)
where:
Base-Base interactions energy: -2123.632
where: short stacking energy: -922.063
Base-Backbone interact. energy: -2.117
local terms energy: -922.228179
where:
bonds (distance) C4'-P energy: -158.554
bonds (distance) P-C4' energy: -170.886
flat angles C4'-P-C4' energy: -207.146
flat angles P-C4'-P energy: -127.296
tors. eta vs tors. theta energy: -258.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -2913.352517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2913.352517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2913.352517 (E_RNA)
where:
Base-Base interactions energy: -1991.147
where: short stacking energy: -855.038
Base-Backbone interact. energy: -3.182
local terms energy: -919.023459
where:
bonds (distance) C4'-P energy: -156.849
bonds (distance) P-C4' energy: -173.806
flat angles C4'-P-C4' energy: -192.470
flat angles P-C4'-P energy: -139.043
tors. eta vs tors. theta energy: -256.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -2724.956935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2724.956935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2724.956935 (E_RNA)
where:
Base-Base interactions energy: -1878.500
where: short stacking energy: -805.618
Base-Backbone interact. energy: -4.438
local terms energy: -842.019137
where:
bonds (distance) C4'-P energy: -162.243
bonds (distance) P-C4' energy: -166.117
flat angles C4'-P-C4' energy: -184.309
flat angles P-C4'-P energy: -107.259
tors. eta vs tors. theta energy: -222.091
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: 321
Temperature: 1.050000
Total energy: -2600.570250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2600.570250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2600.570250 (E_RNA)
where:
Base-Base interactions energy: -1734.583
where: short stacking energy: -730.463
Base-Backbone interact. energy: -3.974
local terms energy: -862.012413
where:
bonds (distance) C4'-P energy: -160.865
bonds (distance) P-C4' energy: -179.482
flat angles C4'-P-C4' energy: -189.457
flat angles P-C4'-P energy: -122.320
tors. eta vs tors. theta energy: -209.888
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: 1
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -2234.418481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.418481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2234.418481 (E_RNA)
where:
Base-Base interactions energy: -1461.909
where: short stacking energy: -636.432
Base-Backbone interact. energy: 0.491
local terms energy: -773.000374
where:
bonds (distance) C4'-P energy: -165.111
bonds (distance) P-C4' energy: -163.790
flat angles C4'-P-C4' energy: -157.881
flat angles P-C4'-P energy: -105.330
tors. eta vs tors. theta energy: -180.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -1914.398049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.398049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.398049 (E_RNA)
where:
Base-Base interactions energy: -1209.930
where: short stacking energy: -524.554
Base-Backbone interact. energy: 1.183
local terms energy: -705.650431
where:
bonds (distance) C4'-P energy: -143.575
bonds (distance) P-C4' energy: -165.389
flat angles C4'-P-C4' energy: -150.051
flat angles P-C4'-P energy: -123.394
tors. eta vs tors. theta energy: -123.243
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: 321
Temperature: 1.200000
Total energy: -1463.346968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.346968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.346968 (E_RNA)
where:
Base-Base interactions energy: -841.925
where: short stacking energy: -414.419
Base-Backbone interact. energy: 1.583
local terms energy: -623.005165
where:
bonds (distance) C4'-P energy: -168.087
bonds (distance) P-C4' energy: -142.741
flat angles C4'-P-C4' energy: -149.686
flat angles P-C4'-P energy: -102.039
tors. eta vs tors. theta energy: -60.451
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: 8
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -1214.338869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.338869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.338869 (E_RNA)
where:
Base-Base interactions energy: -689.997
where: short stacking energy: -340.930
Base-Backbone interact. energy: 9.415
local terms energy: -533.757582
where:
bonds (distance) C4'-P energy: -149.076
bonds (distance) P-C4' energy: -145.409
flat angles C4'-P-C4' energy: -150.062
flat angles P-C4'-P energy: -58.225
tors. eta vs tors. theta energy: -30.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -1003.987572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.987572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.987572 (E_RNA)
where:
Base-Base interactions energy: -484.238
where: short stacking energy: -243.317
Base-Backbone interact. energy: 2.065
local terms energy: -521.814736
where:
bonds (distance) C4'-P energy: -165.819
bonds (distance) P-C4' energy: -161.269
flat angles C4'-P-C4' energy: -121.204
flat angles P-C4'-P energy: -72.309
tors. eta vs tors. theta energy: -1.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -807.134493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.134493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.134493 (E_RNA)
where:
Base-Base interactions energy: -327.136
where: short stacking energy: -216.254
Base-Backbone interact. energy: 2.326
local terms energy: -482.324679
where:
bonds (distance) C4'-P energy: -139.658
bonds (distance) P-C4' energy: -177.925
flat angles C4'-P-C4' energy: -116.442
flat angles P-C4'-P energy: -67.424
tors. eta vs tors. theta energy: 19.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -3038.452856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3038.452856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3038.452856 (E_RNA)
where:
Base-Base interactions energy: -2108.463
where: short stacking energy: -864.193
Base-Backbone interact. energy: -3.921
local terms energy: -926.068421
where:
bonds (distance) C4'-P energy: -169.849
bonds (distance) P-C4' energy: -175.535
flat angles C4'-P-C4' energy: -205.925
flat angles P-C4'-P energy: -121.010
tors. eta vs tors. theta energy: -253.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -2906.174824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2906.174824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2906.174824 (E_RNA)
where:
Base-Base interactions energy: -2006.750
where: short stacking energy: -842.313
Base-Backbone interact. energy: -3.366
local terms energy: -896.058719
where:
bonds (distance) C4'-P energy: -168.824
bonds (distance) P-C4' energy: -166.398
flat angles C4'-P-C4' energy: -193.081
flat angles P-C4'-P energy: -110.623
tors. eta vs tors. theta energy: -257.133
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: 3
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -2777.462628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2777.462628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2777.462628 (E_RNA)
where:
Base-Base interactions energy: -1906.995
where: short stacking energy: -772.142
Base-Backbone interact. energy: 0.361
local terms energy: -870.828753
where:
bonds (distance) C4'-P energy: -175.222
bonds (distance) P-C4' energy: -166.373
flat angles C4'-P-C4' energy: -186.098
flat angles P-C4'-P energy: -117.562
tors. eta vs tors. theta energy: -225.574
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: 322
Temperature: 1.050000
Total energy: -2562.966226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2562.966226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2562.966226 (E_RNA)
where:
Base-Base interactions energy: -1706.364
where: short stacking energy: -729.803
Base-Backbone interact. energy: -2.072
local terms energy: -854.530763
where:
bonds (distance) C4'-P energy: -140.237
bonds (distance) P-C4' energy: -168.089
flat angles C4'-P-C4' energy: -198.314
flat angles P-C4'-P energy: -130.079
tors. eta vs tors. theta energy: -217.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -2310.539511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2310.539511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.539511 (E_RNA)
where:
Base-Base interactions energy: -1534.616
where: short stacking energy: -658.597
Base-Backbone interact. energy: 2.362
local terms energy: -778.285518
where:
bonds (distance) C4'-P energy: -155.886
bonds (distance) P-C4' energy: -149.569
flat angles C4'-P-C4' energy: -175.389
flat angles P-C4'-P energy: -110.374
tors. eta vs tors. theta energy: -187.068
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: 322
Temperature: 1.150000
Total energy: -1878.675014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.675014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.675014 (E_RNA)
where:
Base-Base interactions energy: -1150.981
where: short stacking energy: -566.992
Base-Backbone interact. energy: -1.009
local terms energy: -726.685150
where:
bonds (distance) C4'-P energy: -160.977
bonds (distance) P-C4' energy: -175.556
flat angles C4'-P-C4' energy: -163.484
flat angles P-C4'-P energy: -94.232
tors. eta vs tors. theta energy: -132.436
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: 7, replica: 5
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -1523.161365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.161365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.161365 (E_RNA)
where:
Base-Base interactions energy: -907.897
where: short stacking energy: -416.285
Base-Backbone interact. energy: -3.197
local terms energy: -612.067688
where:
bonds (distance) C4'-P energy: -135.969
bonds (distance) P-C4' energy: -181.613
flat angles C4'-P-C4' energy: -143.071
flat angles P-C4'-P energy: -74.726
tors. eta vs tors. theta energy: -76.690
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: 8
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -1294.745414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.745414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.745414 (E_RNA)
where:
Base-Base interactions energy: -705.049
where: short stacking energy: -357.904
Base-Backbone interact. energy: 1.457
local terms energy: -591.153845
where:
bonds (distance) C4'-P energy: -156.680
bonds (distance) P-C4' energy: -164.570
flat angles C4'-P-C4' energy: -148.424
flat angles P-C4'-P energy: -89.940
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: 9, replica: 2
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -985.727973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.727973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.727973 (E_RNA)
where:
Base-Base interactions energy: -502.959
where: short stacking energy: -287.648
Base-Backbone interact. energy: 2.490
local terms energy: -485.259769
where:
bonds (distance) C4'-P energy: -163.552
bonds (distance) P-C4' energy: -156.823
flat angles C4'-P-C4' energy: -112.479
flat angles P-C4'-P energy: -73.471
tors. eta vs tors. theta energy: 21.064
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: 4
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -807.665695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.665695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.665695 (E_RNA)
where:
Base-Base interactions energy: -374.765
where: short stacking energy: -227.636
Base-Backbone interact. energy: 9.450
local terms energy: -442.350245
where:
bonds (distance) C4'-P energy: -109.999
bonds (distance) P-C4' energy: -156.464
flat angles C4'-P-C4' energy: -125.779
flat angles P-C4'-P energy: -62.791
tors. eta vs tors. theta energy: 12.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -3019.678542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3019.678542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3019.678542 (E_RNA)
where:
Base-Base interactions energy: -2055.053
where: short stacking energy: -873.136
Base-Backbone interact. energy: -3.254
local terms energy: -961.371530
where:
bonds (distance) C4'-P energy: -168.302
bonds (distance) P-C4' energy: -187.842
flat angles C4'-P-C4' energy: -193.322
flat angles P-C4'-P energy: -152.257
tors. eta vs tors. theta energy: -259.648
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: 10
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -2898.582015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2898.582015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2898.582015 (E_RNA)
where:
Base-Base interactions energy: -1983.266
where: short stacking energy: -845.945
Base-Backbone interact. energy: -3.274
local terms energy: -912.041483
where:
bonds (distance) C4'-P energy: -163.012
bonds (distance) P-C4' energy: -188.198
flat angles C4'-P-C4' energy: -187.833
flat angles P-C4'-P energy: -120.849
tors. eta vs tors. theta energy: -252.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -2714.950882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2714.950882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2714.950882 (E_RNA)
where:
Base-Base interactions energy: -1850.820
where: short stacking energy: -750.530
Base-Backbone interact. energy: -2.216
local terms energy: -861.914920
where:
bonds (distance) C4'-P energy: -153.828
bonds (distance) P-C4' energy: -181.202
flat angles C4'-P-C4' energy: -190.860
flat angles P-C4'-P energy: -110.955
tors. eta vs tors. theta energy: -225.069
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: 4, replica: 6
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -2573.861821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2573.861821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2573.861821 (E_RNA)
where:
Base-Base interactions energy: -1716.046
where: short stacking energy: -749.892
Base-Backbone interact. energy: -2.965
local terms energy: -854.850561
where:
bonds (distance) C4'-P energy: -149.694
bonds (distance) P-C4' energy: -163.475
flat angles C4'-P-C4' energy: -186.721
flat angles P-C4'-P energy: -137.321
tors. eta vs tors. theta energy: -217.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -2319.470009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.470009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2319.470009 (E_RNA)
where:
Base-Base interactions energy: -1528.249
where: short stacking energy: -626.204
Base-Backbone interact. energy: 5.132
local terms energy: -796.353756
where:
bonds (distance) C4'-P energy: -168.984
bonds (distance) P-C4' energy: -168.070
flat angles C4'-P-C4' energy: -185.361
flat angles P-C4'-P energy: -94.670
tors. eta vs tors. theta energy: -179.269
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: 323
Temperature: 1.150000
Total energy: -1870.565541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.565541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.565541 (E_RNA)
where:
Base-Base interactions energy: -1170.991
where: short stacking energy: -550.580
Base-Backbone interact. energy: -1.646
local terms energy: -697.927887
where:
bonds (distance) C4'-P energy: -157.766
bonds (distance) P-C4' energy: -154.958
flat angles C4'-P-C4' energy: -158.842
flat angles P-C4'-P energy: -100.333
tors. eta vs tors. theta energy: -126.028
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: 5
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -1579.265197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.265197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.265197 (E_RNA)
where:
Base-Base interactions energy: -933.636
where: short stacking energy: -484.157
Base-Backbone interact. energy: 2.209
local terms energy: -647.838144
where:
bonds (distance) C4'-P energy: -137.337
bonds (distance) P-C4' energy: -158.239
flat angles C4'-P-C4' energy: -146.704
flat angles P-C4'-P energy: -100.608
tors. eta vs tors. theta energy: -104.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -1241.517372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.517372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.517372 (E_RNA)
where:
Base-Base interactions energy: -686.575
where: short stacking energy: -315.798
Base-Backbone interact. energy: 0.626
local terms energy: -555.568209
where:
bonds (distance) C4'-P energy: -128.995
bonds (distance) P-C4' energy: -164.419
flat angles C4'-P-C4' energy: -142.948
flat angles P-C4'-P energy: -79.190
tors. eta vs tors. theta energy: -40.017
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: 9, replica: 2
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -995.492671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.492671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.492671 (E_RNA)
where:
Base-Base interactions energy: -499.818
where: short stacking energy: -274.476
Base-Backbone interact. energy: 0.075
local terms energy: -495.748867
where:
bonds (distance) C4'-P energy: -144.394
bonds (distance) P-C4' energy: -147.091
flat angles C4'-P-C4' energy: -117.485
flat angles P-C4'-P energy: -62.327
tors. eta vs tors. theta energy: -24.452
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: 10, replica: 4
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -772.777796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.777796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.777796 (E_RNA)
where:
Base-Base interactions energy: -320.551
where: short stacking energy: -202.559
Base-Backbone interact. energy: 5.949
local terms energy: -458.175386
where:
bonds (distance) C4'-P energy: -140.158
bonds (distance) P-C4' energy: -148.639
flat angles C4'-P-C4' energy: -128.327
flat angles P-C4'-P energy: -69.923
tors. eta vs tors. theta energy: 28.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -3015.484616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3015.484616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3015.484616 (E_RNA)
where:
Base-Base interactions energy: -2075.707
where: short stacking energy: -906.134
Base-Backbone interact. energy: -2.834
local terms energy: -936.944086
where:
bonds (distance) C4'-P energy: -151.907
bonds (distance) P-C4' energy: -167.540
flat angles C4'-P-C4' energy: -210.550
flat angles P-C4'-P energy: -136.725
tors. eta vs tors. theta energy: -270.223
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: 10
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -2902.878634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2902.878634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2902.878634 (E_RNA)
where:
Base-Base interactions energy: -1978.940
where: short stacking energy: -833.376
Base-Backbone interact. energy: -0.113
local terms energy: -923.825640
where:
bonds (distance) C4'-P energy: -168.126
bonds (distance) P-C4' energy: -180.838
flat angles C4'-P-C4' energy: -198.677
flat angles P-C4'-P energy: -128.709
tors. eta vs tors. theta energy: -247.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -2654.668836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2654.668836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2654.668836 (E_RNA)
where:
Base-Base interactions energy: -1783.076
where: short stacking energy: -768.168
Base-Backbone interact. energy: 1.252
local terms energy: -872.844458
where:
bonds (distance) C4'-P energy: -166.889
bonds (distance) P-C4' energy: -158.986
flat angles C4'-P-C4' energy: -184.862
flat angles P-C4'-P energy: -132.553
tors. eta vs tors. theta energy: -229.554
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: 3
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -2613.842860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2613.842860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2613.842860 (E_RNA)
where:
Base-Base interactions energy: -1758.495
where: short stacking energy: -713.508
Base-Backbone interact. energy: -2.642
local terms energy: -852.706058
where:
bonds (distance) C4'-P energy: -158.197
bonds (distance) P-C4' energy: -172.971
flat angles C4'-P-C4' energy: -196.867
flat angles P-C4'-P energy: -122.772
tors. eta vs tors. theta energy: -201.898
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: 5, replica: 1
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -2342.071009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.071009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2342.071009 (E_RNA)
where:
Base-Base interactions energy: -1580.206
where: short stacking energy: -681.633
Base-Backbone interact. energy: -1.713
local terms energy: -760.152470
where:
bonds (distance) C4'-P energy: -131.691
bonds (distance) P-C4' energy: -165.256
flat angles C4'-P-C4' energy: -168.764
flat angles P-C4'-P energy: -99.142
tors. eta vs tors. theta energy: -195.300
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: 6, replica: 9
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -1948.318775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.318775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.318775 (E_RNA)
where:
Base-Base interactions energy: -1214.560
where: short stacking energy: -539.887
Base-Backbone interact. energy: -1.606
local terms energy: -732.152544
where:
bonds (distance) C4'-P energy: -142.108
bonds (distance) P-C4' energy: -174.010
flat angles C4'-P-C4' energy: -151.598
flat angles P-C4'-P energy: -115.614
tors. eta vs tors. theta energy: -148.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -1542.933264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.933264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.933264 (E_RNA)
where:
Base-Base interactions energy: -933.291
where: short stacking energy: -424.729
Base-Backbone interact. energy: -1.015
local terms energy: -608.626760
where:
bonds (distance) C4'-P energy: -153.360
bonds (distance) P-C4' energy: -161.319
flat angles C4'-P-C4' energy: -132.327
flat angles P-C4'-P energy: -86.513
tors. eta vs tors. theta energy: -75.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -1328.397355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.397355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.397355 (E_RNA)
where:
Base-Base interactions energy: -755.978
where: short stacking energy: -394.233
Base-Backbone interact. energy: -4.261
local terms energy: -568.158161
where:
bonds (distance) C4'-P energy: -131.669
bonds (distance) P-C4' energy: -141.305
flat angles C4'-P-C4' energy: -148.377
flat angles P-C4'-P energy: -93.132
tors. eta vs tors. theta energy: -53.675
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: 9, replica: 2
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -938.920561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.920561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.920561 (E_RNA)
where:
Base-Base interactions energy: -453.660
where: short stacking energy: -247.470
Base-Backbone interact. energy: 1.398
local terms energy: -486.658200
where:
bonds (distance) C4'-P energy: -134.556
bonds (distance) P-C4' energy: -154.690
flat angles C4'-P-C4' energy: -134.300
flat angles P-C4'-P energy: -73.970
tors. eta vs tors. theta energy: 10.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -751.080934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.080934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.080934 (E_RNA)
where:
Base-Base interactions energy: -278.944
where: short stacking energy: -178.192
Base-Backbone interact. energy: 1.834
local terms energy: -473.970649
where:
bonds (distance) C4'-P energy: -155.600
bonds (distance) P-C4' energy: -149.494
flat angles C4'-P-C4' energy: -123.336
flat angles P-C4'-P energy: -83.063
tors. eta vs tors. theta energy: 37.522
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: 7
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -3017.103651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3017.103651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3017.103651 (E_RNA)
where:
Base-Base interactions energy: -2087.579
where: short stacking energy: -860.084
Base-Backbone interact. energy: 0.415
local terms energy: -929.940180
where:
bonds (distance) C4'-P energy: -180.907
bonds (distance) P-C4' energy: -188.163
flat angles C4'-P-C4' energy: -195.895
flat angles P-C4'-P energy: -115.086
tors. eta vs tors. theta energy: -249.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -2922.129064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2922.129064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2922.129064 (E_RNA)
where:
Base-Base interactions energy: -2029.921
where: short stacking energy: -846.577
Base-Backbone interact. energy: -2.797
local terms energy: -889.411756
where:
bonds (distance) C4'-P energy: -159.293
bonds (distance) P-C4' energy: -184.606
flat angles C4'-P-C4' energy: -187.895
flat angles P-C4'-P energy: -107.102
tors. eta vs tors. theta energy: -250.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -2672.865359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2672.865359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2672.865359 (E_RNA)
where:
Base-Base interactions energy: -1775.635
where: short stacking energy: -767.838
Base-Backbone interact. energy: -1.446
local terms energy: -895.783628
where:
bonds (distance) C4'-P energy: -164.035
bonds (distance) P-C4' energy: -179.838
flat angles C4'-P-C4' energy: -197.795
flat angles P-C4'-P energy: -115.571
tors. eta vs tors. theta energy: -238.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -2586.028178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2586.028178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2586.028178 (E_RNA)
where:
Base-Base interactions energy: -1785.012
where: short stacking energy: -717.316
Base-Backbone interact. energy: 2.391
local terms energy: -803.406497
where:
bonds (distance) C4'-P energy: -147.420
bonds (distance) P-C4' energy: -157.280
flat angles C4'-P-C4' energy: -180.339
flat angles P-C4'-P energy: -108.045
tors. eta vs tors. theta energy: -210.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -2354.701545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2354.701545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.701545 (E_RNA)
where:
Base-Base interactions energy: -1576.373
where: short stacking energy: -681.805
Base-Backbone interact. energy: -0.913
local terms energy: -777.415157
where:
bonds (distance) C4'-P energy: -167.761
bonds (distance) P-C4' energy: -159.158
flat angles C4'-P-C4' energy: -153.456
flat angles P-C4'-P energy: -102.718
tors. eta vs tors. theta energy: -194.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -1947.490721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.490721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.490721 (E_RNA)
where:
Base-Base interactions energy: -1231.117
where: short stacking energy: -576.657
Base-Backbone interact. energy: 0.645
local terms energy: -717.018253
where:
bonds (distance) C4'-P energy: -145.087
bonds (distance) P-C4' energy: -158.777
flat angles C4'-P-C4' energy: -160.066
flat angles P-C4'-P energy: -116.518
tors. eta vs tors. theta energy: -136.571
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: 5
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -1528.914098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.914098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.914098 (E_RNA)
where:
Base-Base interactions energy: -907.538
where: short stacking energy: -426.562
Base-Backbone interact. energy: 1.202
local terms energy: -622.578494
where:
bonds (distance) C4'-P energy: -150.978
bonds (distance) P-C4' energy: -162.708
flat angles C4'-P-C4' energy: -124.736
flat angles P-C4'-P energy: -95.881
tors. eta vs tors. theta energy: -88.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -1305.994298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.994298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.994298 (E_RNA)
where:
Base-Base interactions energy: -710.995
where: short stacking energy: -381.947
Base-Backbone interact. energy: 7.360
local terms energy: -602.359646
where:
bonds (distance) C4'-P energy: -164.548
bonds (distance) P-C4' energy: -149.172
flat angles C4'-P-C4' energy: -146.635
flat angles P-C4'-P energy: -88.496
tors. eta vs tors. theta energy: -53.509
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: 9, replica: 2
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -964.690438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.690438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.690438 (E_RNA)
where:
Base-Base interactions energy: -468.179
where: short stacking energy: -287.356
Base-Backbone interact. energy: 7.314
local terms energy: -503.825744
where:
bonds (distance) C4'-P energy: -138.197
bonds (distance) P-C4' energy: -148.829
flat angles C4'-P-C4' energy: -134.674
flat angles P-C4'-P energy: -82.470
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: 10, replica: 4
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -731.373161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.373161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.373161 (E_RNA)
where:
Base-Base interactions energy: -318.505
where: short stacking energy: -202.466
Base-Backbone interact. energy: -1.253
local terms energy: -411.614995
where:
bonds (distance) C4'-P energy: -119.157
bonds (distance) P-C4' energy: -154.860
flat angles C4'-P-C4' energy: -127.793
flat angles P-C4'-P energy: -55.502
tors. eta vs tors. theta energy: 45.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -3013.913653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3013.913653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3013.913653 (E_RNA)
where:
Base-Base interactions energy: -2073.639
where: short stacking energy: -870.475
Base-Backbone interact. energy: -2.020
local terms energy: -938.254428
where:
bonds (distance) C4'-P energy: -177.521
bonds (distance) P-C4' energy: -162.506
flat angles C4'-P-C4' energy: -201.796
flat angles P-C4'-P energy: -131.934
tors. eta vs tors. theta energy: -264.498
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: 2, replica: 10
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -2915.625353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2915.625353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2915.625353 (E_RNA)
where:
Base-Base interactions energy: -2030.486
where: short stacking energy: -834.894
Base-Backbone interact. energy: -6.567
local terms energy: -878.572148
where:
bonds (distance) C4'-P energy: -148.713
bonds (distance) P-C4' energy: -164.671
flat angles C4'-P-C4' energy: -179.388
flat angles P-C4'-P energy: -126.790
tors. eta vs tors. theta energy: -259.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -2658.245978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2658.245978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2658.245978 (E_RNA)
where:
Base-Base interactions energy: -1783.306
where: short stacking energy: -779.341
Base-Backbone interact. energy: -4.072
local terms energy: -870.868024
where:
bonds (distance) C4'-P energy: -155.342
bonds (distance) P-C4' energy: -176.241
flat angles C4'-P-C4' energy: -189.133
flat angles P-C4'-P energy: -115.266
tors. eta vs tors. theta energy: -234.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -2562.751658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2562.751658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2562.751658 (E_RNA)
where:
Base-Base interactions energy: -1745.578
where: short stacking energy: -694.256
Base-Backbone interact. energy: -1.574
local terms energy: -815.599023
where:
bonds (distance) C4'-P energy: -151.180
bonds (distance) P-C4' energy: -161.980
flat angles C4'-P-C4' energy: -188.750
flat angles P-C4'-P energy: -111.324
tors. eta vs tors. theta energy: -202.365
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: 1
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -2405.422685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2405.422685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2405.422685 (E_RNA)
where:
Base-Base interactions energy: -1585.176
where: short stacking energy: -693.802
Base-Backbone interact. energy: -0.901
local terms energy: -819.346020
where:
bonds (distance) C4'-P energy: -160.709
bonds (distance) P-C4' energy: -155.380
flat angles C4'-P-C4' energy: -186.677
flat angles P-C4'-P energy: -111.112
tors. eta vs tors. theta energy: -205.468
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: 6, replica: 9
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -2050.991808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.991808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.991808 (E_RNA)
where:
Base-Base interactions energy: -1293.837
where: short stacking energy: -585.015
Base-Backbone interact. energy: -2.389
local terms energy: -754.765406
where:
bonds (distance) C4'-P energy: -148.555
bonds (distance) P-C4' energy: -169.686
flat angles C4'-P-C4' energy: -172.774
flat angles P-C4'-P energy: -103.280
tors. eta vs tors. theta energy: -160.470
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: 326
Temperature: 1.200000
Total energy: -1489.597050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.597050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.597050 (E_RNA)
where:
Base-Base interactions energy: -858.390
where: short stacking energy: -424.718
Base-Backbone interact. energy: -1.291
local terms energy: -629.915745
where:
bonds (distance) C4'-P energy: -161.000
bonds (distance) P-C4' energy: -160.507
flat angles C4'-P-C4' energy: -156.171
flat angles P-C4'-P energy: -71.899
tors. eta vs tors. theta energy: -80.339
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: 8
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -1289.194366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.194366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.194366 (E_RNA)
where:
Base-Base interactions energy: -709.638
where: short stacking energy: -368.847
Base-Backbone interact. energy: 0.729
local terms energy: -580.285465
where:
bonds (distance) C4'-P energy: -136.296
bonds (distance) P-C4' energy: -159.977
flat angles C4'-P-C4' energy: -140.343
flat angles P-C4'-P energy: -82.793
tors. eta vs tors. theta energy: -60.877
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: 326
Temperature: 1.300000
Total energy: -941.740378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.740378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.740378 (E_RNA)
where:
Base-Base interactions energy: -457.549
where: short stacking energy: -263.232
Base-Backbone interact. energy: 2.354
local terms energy: -486.545707
where:
bonds (distance) C4'-P energy: -147.741
bonds (distance) P-C4' energy: -155.773
flat angles C4'-P-C4' energy: -127.929
flat angles P-C4'-P energy: -71.279
tors. eta vs tors. theta energy: 16.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -745.912340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.912340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.912340 (E_RNA)
where:
Base-Base interactions energy: -291.500
where: short stacking energy: -197.828
Base-Backbone interact. energy: -2.385
local terms energy: -452.028118
where:
bonds (distance) C4'-P energy: -135.304
bonds (distance) P-C4' energy: -130.625
flat angles C4'-P-C4' energy: -141.828
flat angles P-C4'-P energy: -66.189
tors. eta vs tors. theta energy: 21.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -3036.840120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3036.840120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3036.840120 (E_RNA)
where:
Base-Base interactions energy: -2079.897
where: short stacking energy: -912.734
Base-Backbone interact. energy: -4.164
local terms energy: -952.779657
where:
bonds (distance) C4'-P energy: -178.691
bonds (distance) P-C4' energy: -171.567
flat angles C4'-P-C4' energy: -201.372
flat angles P-C4'-P energy: -123.955
tors. eta vs tors. theta energy: -277.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -2962.787694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2962.787694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2962.787694 (E_RNA)
where:
Base-Base interactions energy: -2015.615
where: short stacking energy: -831.695
Base-Backbone interact. energy: -1.519
local terms energy: -945.653333
where:
bonds (distance) C4'-P energy: -169.060
bonds (distance) P-C4' energy: -183.166
flat angles C4'-P-C4' energy: -204.254
flat angles P-C4'-P energy: -134.881
tors. eta vs tors. theta energy: -254.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -2677.840709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2677.840709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2677.840709 (E_RNA)
where:
Base-Base interactions energy: -1789.170
where: short stacking energy: -780.296
Base-Backbone interact. energy: 0.576
local terms energy: -889.245772
where:
bonds (distance) C4'-P energy: -172.073
bonds (distance) P-C4' energy: -150.610
flat angles C4'-P-C4' energy: -202.519
flat angles P-C4'-P energy: -119.503
tors. eta vs tors. theta energy: -244.542
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: 4, replica: 3
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -2587.995509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2587.995509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2587.995509 (E_RNA)
where:
Base-Base interactions energy: -1729.849
where: short stacking energy: -699.100
Base-Backbone interact. energy: -5.998
local terms energy: -852.148718
where:
bonds (distance) C4'-P energy: -177.220
bonds (distance) P-C4' energy: -167.342
flat angles C4'-P-C4' energy: -192.248
flat angles P-C4'-P energy: -122.879
tors. eta vs tors. theta energy: -192.460
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: 1
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -2320.051797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2320.051797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2320.051797 (E_RNA)
where:
Base-Base interactions energy: -1541.997
where: short stacking energy: -648.667
Base-Backbone interact. energy: -2.096
local terms energy: -775.958289
where:
bonds (distance) C4'-P energy: -156.891
bonds (distance) P-C4' energy: -143.926
flat angles C4'-P-C4' energy: -178.677
flat angles P-C4'-P energy: -114.341
tors. eta vs tors. theta energy: -182.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -2023.533878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.533878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.533878 (E_RNA)
where:
Base-Base interactions energy: -1294.327
where: short stacking energy: -564.442
Base-Backbone interact. energy: 1.668
local terms energy: -730.875757
where:
bonds (distance) C4'-P energy: -176.359
bonds (distance) P-C4' energy: -168.929
flat angles C4'-P-C4' energy: -143.216
flat angles P-C4'-P energy: -91.187
tors. eta vs tors. theta energy: -151.185
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: 327
Temperature: 1.200000
Total energy: -1465.311414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.311414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.311414 (E_RNA)
where:
Base-Base interactions energy: -830.806
where: short stacking energy: -386.798
Base-Backbone interact. energy: -1.520
local terms energy: -632.985394
where:
bonds (distance) C4'-P energy: -146.107
bonds (distance) P-C4' energy: -156.929
flat angles C4'-P-C4' energy: -163.199
flat angles P-C4'-P energy: -91.182
tors. eta vs tors. theta energy: -75.569
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: 8
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -1245.061321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.061321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.061321 (E_RNA)
where:
Base-Base interactions energy: -665.978
where: short stacking energy: -342.044
Base-Backbone interact. energy: -1.110
local terms energy: -577.973579
where:
bonds (distance) C4'-P energy: -150.973
bonds (distance) P-C4' energy: -167.270
flat angles C4'-P-C4' energy: -155.448
flat angles P-C4'-P energy: -67.274
tors. eta vs tors. theta energy: -37.008
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: 327
Temperature: 1.300000
Total energy: -984.980665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.980665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.980665 (E_RNA)
where:
Base-Base interactions energy: -502.892
where: short stacking energy: -261.357
Base-Backbone interact. energy: -5.902
local terms energy: -476.186018
where:
bonds (distance) C4'-P energy: -135.237
bonds (distance) P-C4' energy: -148.777
flat angles C4'-P-C4' energy: -138.601
flat angles P-C4'-P energy: -66.602
tors. eta vs tors. theta energy: 13.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -731.568877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.568877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.568877 (E_RNA)
where:
Base-Base interactions energy: -271.641
where: short stacking energy: -201.361
Base-Backbone interact. energy: 2.471
local terms energy: -462.399510
where:
bonds (distance) C4'-P energy: -129.515
bonds (distance) P-C4' energy: -145.840
flat angles C4'-P-C4' energy: -122.800
flat angles P-C4'-P energy: -69.929
tors. eta vs tors. theta energy: 5.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -3041.562468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3041.562468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3041.562468 (E_RNA)
where:
Base-Base interactions energy: -2077.885
where: short stacking energy: -881.091
Base-Backbone interact. energy: -5.941
local terms energy: -957.736615
where:
bonds (distance) C4'-P energy: -172.839
bonds (distance) P-C4' energy: -179.648
flat angles C4'-P-C4' energy: -206.005
flat angles P-C4'-P energy: -142.060
tors. eta vs tors. theta energy: -257.185
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: 2, replica: 10
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -2934.738446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2934.738446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2934.738446 (E_RNA)
where:
Base-Base interactions energy: -2015.242
where: short stacking energy: -842.162
Base-Backbone interact. energy: -5.178
local terms energy: -914.317922
where:
bonds (distance) C4'-P energy: -152.577
bonds (distance) P-C4' energy: -168.335
flat angles C4'-P-C4' energy: -206.402
flat angles P-C4'-P energy: -118.856
tors. eta vs tors. theta energy: -268.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -2728.470073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2728.470073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2728.470073 (E_RNA)
where:
Base-Base interactions energy: -1827.128
where: short stacking energy: -812.848
Base-Backbone interact. energy: 0.162
local terms energy: -901.504878
where:
bonds (distance) C4'-P energy: -166.314
bonds (distance) P-C4' energy: -158.114
flat angles C4'-P-C4' energy: -205.380
flat angles P-C4'-P energy: -129.546
tors. eta vs tors. theta energy: -242.151
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: 3
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -2600.635450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2600.635450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2600.635450 (E_RNA)
where:
Base-Base interactions energy: -1771.134
where: short stacking energy: -729.678
Base-Backbone interact. energy: -1.631
local terms energy: -827.870092
where:
bonds (distance) C4'-P energy: -159.392
bonds (distance) P-C4' energy: -174.295
flat angles C4'-P-C4' energy: -175.325
flat angles P-C4'-P energy: -107.254
tors. eta vs tors. theta energy: -211.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -2358.466309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2358.466309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.466309 (E_RNA)
where:
Base-Base interactions energy: -1556.528
where: short stacking energy: -677.972
Base-Backbone interact. energy: -3.188
local terms energy: -798.750043
where:
bonds (distance) C4'-P energy: -157.565
bonds (distance) P-C4' energy: -165.599
flat angles C4'-P-C4' energy: -172.975
flat angles P-C4'-P energy: -109.762
tors. eta vs tors. theta energy: -192.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -1897.055847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.055847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.055847 (E_RNA)
where:
Base-Base interactions energy: -1216.049
where: short stacking energy: -507.120
Base-Backbone interact. energy: -2.606
local terms energy: -678.400491
where:
bonds (distance) C4'-P energy: -133.320
bonds (distance) P-C4' energy: -150.749
flat angles C4'-P-C4' energy: -168.962
flat angles P-C4'-P energy: -113.811
tors. eta vs tors. theta energy: -111.557
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: 5
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -1518.484786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.484786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.484786 (E_RNA)
where:
Base-Base interactions energy: -883.071
where: short stacking energy: -426.253
Base-Backbone interact. energy: -1.034
local terms energy: -634.378839
where:
bonds (distance) C4'-P energy: -158.455
bonds (distance) P-C4' energy: -144.087
flat angles C4'-P-C4' energy: -139.817
flat angles P-C4'-P energy: -111.994
tors. eta vs tors. theta energy: -80.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -1235.826879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.826879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.826879 (E_RNA)
where:
Base-Base interactions energy: -665.128
where: short stacking energy: -350.076
Base-Backbone interact. energy: 3.939
local terms energy: -574.637942
where:
bonds (distance) C4'-P energy: -138.944
bonds (distance) P-C4' energy: -140.336
flat angles C4'-P-C4' energy: -159.609
flat angles P-C4'-P energy: -80.522
tors. eta vs tors. theta energy: -55.228
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: 2
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -978.687071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.687071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.687071 (E_RNA)
where:
Base-Base interactions energy: -488.616
where: short stacking energy: -276.514
Base-Backbone interact. energy: 2.016
local terms energy: -492.086460
where:
bonds (distance) C4'-P energy: -110.765
bonds (distance) P-C4' energy: -136.847
flat angles C4'-P-C4' energy: -125.642
flat angles P-C4'-P energy: -112.337
tors. eta vs tors. theta energy: -6.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -631.208781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.208781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.208781 (E_RNA)
where:
Base-Base interactions energy: -238.539
where: short stacking energy: -136.786
Base-Backbone interact. energy: 0.251
local terms energy: -392.920560
where:
bonds (distance) C4'-P energy: -129.758
bonds (distance) P-C4' energy: -164.616
flat angles C4'-P-C4' energy: -124.699
flat angles P-C4'-P energy: -50.925
tors. eta vs tors. theta energy: 77.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -3052.650351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3052.650351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3052.650351 (E_RNA)
where:
Base-Base interactions energy: -2073.121
where: short stacking energy: -890.111
Base-Backbone interact. energy: -2.645
local terms energy: -976.883948
where:
bonds (distance) C4'-P energy: -177.937
bonds (distance) P-C4' energy: -179.653
flat angles C4'-P-C4' energy: -199.820
flat angles P-C4'-P energy: -141.897
tors. eta vs tors. theta energy: -277.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -2902.304465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2902.304465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2902.304465 (E_RNA)
where:
Base-Base interactions energy: -1983.892
where: short stacking energy: -840.647
Base-Backbone interact. energy: 2.795
local terms energy: -921.208357
where:
bonds (distance) C4'-P energy: -175.102
bonds (distance) P-C4' energy: -164.409
flat angles C4'-P-C4' energy: -205.480
flat angles P-C4'-P energy: -121.606
tors. eta vs tors. theta energy: -254.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -2688.531042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2688.531042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2688.531042 (E_RNA)
where:
Base-Base interactions energy: -1825.083
where: short stacking energy: -754.610
Base-Backbone interact. energy: -3.931
local terms energy: -859.517152
where:
bonds (distance) C4'-P energy: -160.659
bonds (distance) P-C4' energy: -148.990
flat angles C4'-P-C4' energy: -196.440
flat angles P-C4'-P energy: -129.984
tors. eta vs tors. theta energy: -223.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -2615.400786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2615.400786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2615.400786 (E_RNA)
where:
Base-Base interactions energy: -1782.897
where: short stacking energy: -725.777
Base-Backbone interact. energy: -3.510
local terms energy: -828.993123
where:
bonds (distance) C4'-P energy: -160.621
bonds (distance) P-C4' energy: -169.638
flat angles C4'-P-C4' energy: -185.239
flat angles P-C4'-P energy: -113.044
tors. eta vs tors. theta energy: -200.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -2302.936481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2302.936481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2302.936481 (E_RNA)
where:
Base-Base interactions energy: -1559.366
where: short stacking energy: -656.864
Base-Backbone interact. energy: -2.311
local terms energy: -741.259386
where:
bonds (distance) C4'-P energy: -119.814
bonds (distance) P-C4' energy: -150.527
flat angles C4'-P-C4' energy: -167.285
flat angles P-C4'-P energy: -115.102
tors. eta vs tors. theta energy: -188.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -1987.456791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.456791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.456791 (E_RNA)
where:
Base-Base interactions energy: -1307.778
where: short stacking energy: -565.304
Base-Backbone interact. energy: 2.553
local terms energy: -682.232106
where:
bonds (distance) C4'-P energy: -169.104
bonds (distance) P-C4' energy: -130.880
flat angles C4'-P-C4' energy: -160.195
flat angles P-C4'-P energy: -98.213
tors. eta vs tors. theta energy: -123.840
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: 5
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -1458.268621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.268621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.268621 (E_RNA)
where:
Base-Base interactions energy: -870.294
where: short stacking energy: -447.707
Base-Backbone interact. energy: -3.394
local terms energy: -584.580824
where:
bonds (distance) C4'-P energy: -142.271
bonds (distance) P-C4' energy: -146.374
flat angles C4'-P-C4' energy: -149.010
flat angles P-C4'-P energy: -85.963
tors. eta vs tors. theta energy: -60.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -1257.405194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.405194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.405194 (E_RNA)
where:
Base-Base interactions energy: -665.795
where: short stacking energy: -352.915
Base-Backbone interact. energy: 9.379
local terms energy: -600.989677
where:
bonds (distance) C4'-P energy: -179.154
bonds (distance) P-C4' energy: -151.554
flat angles C4'-P-C4' energy: -144.688
flat angles P-C4'-P energy: -69.944
tors. eta vs tors. theta energy: -55.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -974.758720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.758720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.758720 (E_RNA)
where:
Base-Base interactions energy: -487.040
where: short stacking energy: -277.316
Base-Backbone interact. energy: 2.264
local terms energy: -489.982407
where:
bonds (distance) C4'-P energy: -144.390
bonds (distance) P-C4' energy: -146.326
flat angles C4'-P-C4' energy: -129.254
flat angles P-C4'-P energy: -68.251
tors. eta vs tors. theta energy: -1.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -669.754942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.754942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.754942 (E_RNA)
where:
Base-Base interactions energy: -213.866
where: short stacking energy: -182.286
Base-Backbone interact. energy: 5.054
local terms energy: -460.942604
where:
bonds (distance) C4'-P energy: -157.035
bonds (distance) P-C4' energy: -144.218
flat angles C4'-P-C4' energy: -116.132
flat angles P-C4'-P energy: -68.477
tors. eta vs tors. theta energy: 24.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -3036.268127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3036.268127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3036.268127 (E_RNA)
where:
Base-Base interactions energy: -2041.080
where: short stacking energy: -886.645
Base-Backbone interact. energy: -1.058
local terms energy: -994.130555
where:
bonds (distance) C4'-P energy: -182.556
bonds (distance) P-C4' energy: -186.914
flat angles C4'-P-C4' energy: -207.411
flat angles P-C4'-P energy: -138.172
tors. eta vs tors. theta energy: -279.079
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: 10
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -2856.468970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2856.468970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2856.468970 (E_RNA)
where:
Base-Base interactions energy: -1914.347
where: short stacking energy: -841.136
Base-Backbone interact. energy: -1.592
local terms energy: -940.530136
where:
bonds (distance) C4'-P energy: -169.053
bonds (distance) P-C4' energy: -180.194
flat angles C4'-P-C4' energy: -195.224
flat angles P-C4'-P energy: -124.992
tors. eta vs tors. theta energy: -271.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -2697.698866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2697.698866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2697.698866 (E_RNA)
where:
Base-Base interactions energy: -1810.763
where: short stacking energy: -782.823
Base-Backbone interact. energy: -0.706
local terms energy: -886.230560
where:
bonds (distance) C4'-P energy: -172.499
bonds (distance) P-C4' energy: -173.215
flat angles C4'-P-C4' energy: -177.986
flat angles P-C4'-P energy: -119.059
tors. eta vs tors. theta energy: -243.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -2636.668927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2636.668927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2636.668927 (E_RNA)
where:
Base-Base interactions energy: -1789.612
where: short stacking energy: -755.687
Base-Backbone interact. energy: -2.871
local terms energy: -844.185819
where:
bonds (distance) C4'-P energy: -153.693
bonds (distance) P-C4' energy: -155.298
flat angles C4'-P-C4' energy: -178.181
flat angles P-C4'-P energy: -134.264
tors. eta vs tors. theta energy: -222.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -2360.717293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.717293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2360.717293 (E_RNA)
where:
Base-Base interactions energy: -1600.812
where: short stacking energy: -688.477
Base-Backbone interact. energy: -3.510
local terms energy: -756.394644
where:
bonds (distance) C4'-P energy: -139.815
bonds (distance) P-C4' energy: -162.536
flat angles C4'-P-C4' energy: -167.619
flat angles P-C4'-P energy: -103.376
tors. eta vs tors. theta energy: -183.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -1988.405663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.405663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.405663 (E_RNA)
where:
Base-Base interactions energy: -1306.394
where: short stacking energy: -565.323
Base-Backbone interact. energy: -1.055
local terms energy: -680.956616
where:
bonds (distance) C4'-P energy: -161.080
bonds (distance) P-C4' energy: -136.158
flat angles C4'-P-C4' energy: -170.143
flat angles P-C4'-P energy: -82.492
tors. eta vs tors. theta energy: -131.083
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: 5
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -1490.141915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.141915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.141915 (E_RNA)
where:
Base-Base interactions energy: -876.800
where: short stacking energy: -420.851
Base-Backbone interact. energy: -2.121
local terms energy: -611.220606
where:
bonds (distance) C4'-P energy: -149.237
bonds (distance) P-C4' energy: -159.655
flat angles C4'-P-C4' energy: -148.100
flat angles P-C4'-P energy: -79.101
tors. eta vs tors. theta energy: -75.127
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: 8
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -1234.939668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.939668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.939668 (E_RNA)
where:
Base-Base interactions energy: -688.820
where: short stacking energy: -356.987
Base-Backbone interact. energy: 5.023
local terms energy: -551.142559
where:
bonds (distance) C4'-P energy: -133.568
bonds (distance) P-C4' energy: -149.835
flat angles C4'-P-C4' energy: -134.456
flat angles P-C4'-P energy: -73.258
tors. eta vs tors. theta energy: -60.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -1001.754208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.754208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.754208 (E_RNA)
where:
Base-Base interactions energy: -486.193
where: short stacking energy: -291.435
Base-Backbone interact. energy: 1.506
local terms energy: -517.067498
where:
bonds (distance) C4'-P energy: -135.668
bonds (distance) P-C4' energy: -171.632
flat angles C4'-P-C4' energy: -136.775
flat angles P-C4'-P energy: -75.691
tors. eta vs tors. theta energy: 2.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -679.626899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.626899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.626899 (E_RNA)
where:
Base-Base interactions energy: -245.742
where: short stacking energy: -170.876
Base-Backbone interact. energy: 1.312
local terms energy: -435.197192
where:
bonds (distance) C4'-P energy: -121.787
bonds (distance) P-C4' energy: -156.097
flat angles C4'-P-C4' energy: -114.837
flat angles P-C4'-P energy: -80.672
tors. eta vs tors. theta energy: 38.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -3025.648835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3025.648835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3025.648835 (E_RNA)
where:
Base-Base interactions energy: -2083.533
where: short stacking energy: -870.258
Base-Backbone interact. energy: -0.615
local terms energy: -941.500673
where:
bonds (distance) C4'-P energy: -172.664
bonds (distance) P-C4' energy: -187.833
flat angles C4'-P-C4' energy: -187.550
flat angles P-C4'-P energy: -125.011
tors. eta vs tors. theta energy: -268.443
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: 2, replica: 10
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -2887.780656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2887.780656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2887.780656 (E_RNA)
where:
Base-Base interactions energy: -1986.564
where: short stacking energy: -853.808
Base-Backbone interact. energy: 4.307
local terms energy: -905.523938
where:
bonds (distance) C4'-P energy: -165.836
bonds (distance) P-C4' energy: -164.618
flat angles C4'-P-C4' energy: -203.767
flat angles P-C4'-P energy: -126.922
tors. eta vs tors. theta energy: -244.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -2747.842484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2747.842484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2747.842484 (E_RNA)
where:
Base-Base interactions energy: -1849.453
where: short stacking energy: -801.966
Base-Backbone interact. energy: 2.838
local terms energy: -901.228113
where:
bonds (distance) C4'-P energy: -179.267
bonds (distance) P-C4' energy: -159.402
flat angles C4'-P-C4' energy: -197.046
flat angles P-C4'-P energy: -121.160
tors. eta vs tors. theta energy: -244.353
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: 331
Temperature: 1.050000
Total energy: -2650.064532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2650.064532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2650.064532 (E_RNA)
where:
Base-Base interactions energy: -1822.454
where: short stacking energy: -757.658
Base-Backbone interact. energy: 1.120
local terms energy: -828.730633
where:
bonds (distance) C4'-P energy: -151.510
bonds (distance) P-C4' energy: -170.066
flat angles C4'-P-C4' energy: -178.208
flat angles P-C4'-P energy: -113.043
tors. eta vs tors. theta energy: -215.904
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: 1
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -2283.421733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2283.421733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2283.421733 (E_RNA)
where:
Base-Base interactions energy: -1511.126
where: short stacking energy: -643.831
Base-Backbone interact. energy: -1.861
local terms energy: -770.434376
where:
bonds (distance) C4'-P energy: -138.631
bonds (distance) P-C4' energy: -167.575
flat angles C4'-P-C4' energy: -171.768
flat angles P-C4'-P energy: -112.190
tors. eta vs tors. theta energy: -180.270
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: 9
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -2005.716479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.716479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.716479 (E_RNA)
where:
Base-Base interactions energy: -1292.786
where: short stacking energy: -584.032
Base-Backbone interact. energy: -1.014
local terms energy: -711.916178
where:
bonds (distance) C4'-P energy: -146.345
bonds (distance) P-C4' energy: -157.130
flat angles C4'-P-C4' energy: -144.321
flat angles P-C4'-P energy: -107.311
tors. eta vs tors. theta energy: -156.810
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: 7, replica: 5
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -1507.823898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.823898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.823898 (E_RNA)
where:
Base-Base interactions energy: -882.248
where: short stacking energy: -433.424
Base-Backbone interact. energy: -0.141
local terms energy: -625.435202
where:
bonds (distance) C4'-P energy: -150.430
bonds (distance) P-C4' energy: -147.558
flat angles C4'-P-C4' energy: -169.104
flat angles P-C4'-P energy: -102.745
tors. eta vs tors. theta energy: -55.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -1255.618752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.618752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.618752 (E_RNA)
where:
Base-Base interactions energy: -696.643
where: short stacking energy: -388.738
Base-Backbone interact. energy: 0.485
local terms energy: -559.460213
where:
bonds (distance) C4'-P energy: -147.847
bonds (distance) P-C4' energy: -144.791
flat angles C4'-P-C4' energy: -145.912
flat angles P-C4'-P energy: -68.643
tors. eta vs tors. theta energy: -52.266
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: 9, replica: 2
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -964.938835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.938835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.938835 (E_RNA)
where:
Base-Base interactions energy: -452.794
where: short stacking energy: -230.245
Base-Backbone interact. energy: -2.849
local terms energy: -509.295540
where:
bonds (distance) C4'-P energy: -146.036
bonds (distance) P-C4' energy: -164.402
flat angles C4'-P-C4' energy: -130.565
flat angles P-C4'-P energy: -63.464
tors. eta vs tors. theta energy: -4.829
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: 4
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -675.193857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.193857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.193857 (E_RNA)
where:
Base-Base interactions energy: -222.507
where: short stacking energy: -200.860
Base-Backbone interact. energy: 3.103
local terms energy: -455.789311
where:
bonds (distance) C4'-P energy: -153.320
bonds (distance) P-C4' energy: -149.078
flat angles C4'-P-C4' energy: -114.507
flat angles P-C4'-P energy: -56.118
tors. eta vs tors. theta energy: 17.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -3050.338890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3050.338890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3050.338890 (E_RNA)
where:
Base-Base interactions energy: -2079.990
where: short stacking energy: -877.681
Base-Backbone interact. energy: -4.436
local terms energy: -965.913340
where:
bonds (distance) C4'-P energy: -172.292
bonds (distance) P-C4' energy: -189.175
flat angles C4'-P-C4' energy: -205.504
flat angles P-C4'-P energy: -132.524
tors. eta vs tors. theta energy: -266.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -2880.648320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2880.648320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2880.648320 (E_RNA)
where:
Base-Base interactions energy: -1967.676
where: short stacking energy: -844.307
Base-Backbone interact. energy: -5.583
local terms energy: -907.389651
where:
bonds (distance) C4'-P energy: -165.204
bonds (distance) P-C4' energy: -154.769
flat angles C4'-P-C4' energy: -195.698
flat angles P-C4'-P energy: -128.985
tors. eta vs tors. theta energy: -262.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -2707.024959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2707.024959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2707.024959 (E_RNA)
where:
Base-Base interactions energy: -1846.228
where: short stacking energy: -798.888
Base-Backbone interact. energy: -2.633
local terms energy: -858.163968
where:
bonds (distance) C4'-P energy: -173.092
bonds (distance) P-C4' energy: -156.437
flat angles C4'-P-C4' energy: -173.409
flat angles P-C4'-P energy: -119.914
tors. eta vs tors. theta energy: -235.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -2682.129463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2682.129463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2682.129463 (E_RNA)
where:
Base-Base interactions energy: -1848.467
where: short stacking energy: -742.006
Base-Backbone interact. energy: -0.534
local terms energy: -833.128191
where:
bonds (distance) C4'-P energy: -164.117
bonds (distance) P-C4' energy: -162.663
flat angles C4'-P-C4' energy: -184.293
flat angles P-C4'-P energy: -113.874
tors. eta vs tors. theta energy: -208.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -2311.800455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2311.800455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2311.800455 (E_RNA)
where:
Base-Base interactions energy: -1537.643
where: short stacking energy: -659.668
Base-Backbone interact. energy: -1.305
local terms energy: -772.852436
where:
bonds (distance) C4'-P energy: -156.650
bonds (distance) P-C4' energy: -159.534
flat angles C4'-P-C4' energy: -179.752
flat angles P-C4'-P energy: -106.515
tors. eta vs tors. theta energy: -170.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -2021.206839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.206839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.206839 (E_RNA)
where:
Base-Base interactions energy: -1310.646
where: short stacking energy: -563.503
Base-Backbone interact. energy: 3.528
local terms energy: -714.089063
where:
bonds (distance) C4'-P energy: -126.676
bonds (distance) P-C4' energy: -160.616
flat angles C4'-P-C4' energy: -178.036
flat angles P-C4'-P energy: -108.886
tors. eta vs tors. theta energy: -139.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -1484.422522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.422522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.422522 (E_RNA)
where:
Base-Base interactions energy: -888.045
where: short stacking energy: -432.469
Base-Backbone interact. energy: -2.019
local terms energy: -594.359080
where:
bonds (distance) C4'-P energy: -136.125
bonds (distance) P-C4' energy: -157.523
flat angles C4'-P-C4' energy: -147.837
flat angles P-C4'-P energy: -92.118
tors. eta vs tors. theta energy: -60.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -1308.030037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.030037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.030037 (E_RNA)
where:
Base-Base interactions energy: -717.708
where: short stacking energy: -362.426
Base-Backbone interact. energy: 2.595
local terms energy: -592.916947
where:
bonds (distance) C4'-P energy: -161.480
bonds (distance) P-C4' energy: -151.092
flat angles C4'-P-C4' energy: -125.968
flat angles P-C4'-P energy: -95.737
tors. eta vs tors. theta energy: -58.640
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: 2
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -1022.729122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.729122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.729122 (E_RNA)
where:
Base-Base interactions energy: -503.355
where: short stacking energy: -264.123
Base-Backbone interact. energy: -0.186
local terms energy: -519.188478
where:
bonds (distance) C4'-P energy: -157.892
bonds (distance) P-C4' energy: -155.545
flat angles C4'-P-C4' energy: -125.638
flat angles P-C4'-P energy: -72.571
tors. eta vs tors. theta energy: -7.542
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: 4
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -688.716246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.716246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.716246 (E_RNA)
where:
Base-Base interactions energy: -225.915
where: short stacking energy: -192.662
Base-Backbone interact. energy: 0.342
local terms energy: -463.143409
where:
bonds (distance) C4'-P energy: -140.708
bonds (distance) P-C4' energy: -180.556
flat angles C4'-P-C4' energy: -110.966
flat angles P-C4'-P energy: -55.678
tors. eta vs tors. theta energy: 24.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -3008.074087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3008.074087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3008.074087 (E_RNA)
where:
Base-Base interactions energy: -2058.025
where: short stacking energy: -870.190
Base-Backbone interact. energy: -3.301
local terms energy: -946.747765
where:
bonds (distance) C4'-P energy: -172.580
bonds (distance) P-C4' energy: -187.116
flat angles C4'-P-C4' energy: -196.992
flat angles P-C4'-P energy: -136.272
tors. eta vs tors. theta energy: -253.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -2890.910461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2890.910461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2890.910461 (E_RNA)
where:
Base-Base interactions energy: -1978.557
where: short stacking energy: -822.632
Base-Backbone interact. energy: -0.908
local terms energy: -911.445046
where:
bonds (distance) C4'-P energy: -160.572
bonds (distance) P-C4' energy: -179.110
flat angles C4'-P-C4' energy: -197.047
flat angles P-C4'-P energy: -131.710
tors. eta vs tors. theta energy: -243.006
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: 3, replica: 6
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -2730.195292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2730.195292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2730.195292 (E_RNA)
where:
Base-Base interactions energy: -1825.872
where: short stacking energy: -784.653
Base-Backbone interact. energy: 1.211
local terms energy: -905.534475
where:
bonds (distance) C4'-P energy: -174.108
bonds (distance) P-C4' energy: -173.284
flat angles C4'-P-C4' energy: -201.513
flat angles P-C4'-P energy: -125.066
tors. eta vs tors. theta energy: -231.563
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: 4, replica: 3
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -2638.946513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2638.946513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2638.946513 (E_RNA)
where:
Base-Base interactions energy: -1793.239
where: short stacking energy: -719.164
Base-Backbone interact. energy: -5.235
local terms energy: -840.471940
where:
bonds (distance) C4'-P energy: -166.310
bonds (distance) P-C4' energy: -155.817
flat angles C4'-P-C4' energy: -182.385
flat angles P-C4'-P energy: -125.716
tors. eta vs tors. theta energy: -210.244
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: 1
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -2290.409240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2290.409240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2290.409240 (E_RNA)
where:
Base-Base interactions energy: -1505.730
where: short stacking energy: -612.704
Base-Backbone interact. energy: -3.063
local terms energy: -781.616225
where:
bonds (distance) C4'-P energy: -178.122
bonds (distance) P-C4' energy: -149.373
flat angles C4'-P-C4' energy: -169.198
flat angles P-C4'-P energy: -107.927
tors. eta vs tors. theta energy: -176.997
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: 6, replica: 9
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -1986.760298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1986.760298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1986.760298 (E_RNA)
where:
Base-Base interactions energy: -1281.092
where: short stacking energy: -557.673
Base-Backbone interact. energy: -1.387
local terms energy: -704.281648
where:
bonds (distance) C4'-P energy: -161.174
bonds (distance) P-C4' energy: -147.164
flat angles C4'-P-C4' energy: -165.590
flat angles P-C4'-P energy: -90.604
tors. eta vs tors. theta energy: -139.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -1485.408218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.408218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.408218 (E_RNA)
where:
Base-Base interactions energy: -921.966
where: short stacking energy: -443.437
Base-Backbone interact. energy: 8.398
local terms energy: -571.840914
where:
bonds (distance) C4'-P energy: -143.126
bonds (distance) P-C4' energy: -151.693
flat angles C4'-P-C4' energy: -139.518
flat angles P-C4'-P energy: -84.713
tors. eta vs tors. theta energy: -52.791
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: 8, replica: 8
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -1234.351371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.351371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.351371 (E_RNA)
where:
Base-Base interactions energy: -645.113
where: short stacking energy: -313.214
Base-Backbone interact. energy: -2.463
local terms energy: -586.775226
where:
bonds (distance) C4'-P energy: -155.383
bonds (distance) P-C4' energy: -154.577
flat angles C4'-P-C4' energy: -125.954
flat angles P-C4'-P energy: -111.019
tors. eta vs tors. theta energy: -39.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -1003.038743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.038743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.038743 (E_RNA)
where:
Base-Base interactions energy: -480.092
where: short stacking energy: -280.122
Base-Backbone interact. energy: -1.217
local terms energy: -521.729914
where:
bonds (distance) C4'-P energy: -141.930
bonds (distance) P-C4' energy: -175.533
flat angles C4'-P-C4' energy: -123.092
flat angles P-C4'-P energy: -80.347
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: 4
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -650.482456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.482456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.482456 (E_RNA)
where:
Base-Base interactions energy: -214.115
where: short stacking energy: -149.822
Base-Backbone interact. energy: -0.180
local terms energy: -436.187551
where:
bonds (distance) C4'-P energy: -151.775
bonds (distance) P-C4' energy: -154.168
flat angles C4'-P-C4' energy: -122.181
flat angles P-C4'-P energy: -47.474
tors. eta vs tors. theta energy: 39.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -3009.399567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3009.399567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3009.399567 (E_RNA)
where:
Base-Base interactions energy: -2053.595
where: short stacking energy: -868.479
Base-Backbone interact. energy: 2.405
local terms energy: -958.209684
where:
bonds (distance) C4'-P energy: -194.463
bonds (distance) P-C4' energy: -182.954
flat angles C4'-P-C4' energy: -191.882
flat angles P-C4'-P energy: -132.492
tors. eta vs tors. theta energy: -256.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -2893.495690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2893.495690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2893.495690 (E_RNA)
where:
Base-Base interactions energy: -1977.801
where: short stacking energy: -831.215
Base-Backbone interact. energy: -8.515
local terms energy: -907.179307
where:
bonds (distance) C4'-P energy: -152.090
bonds (distance) P-C4' energy: -175.085
flat angles C4'-P-C4' energy: -186.491
flat angles P-C4'-P energy: -128.092
tors. eta vs tors. theta energy: -265.420
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: 6
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -2690.261689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2690.261689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2690.261689 (E_RNA)
where:
Base-Base interactions energy: -1806.207
where: short stacking energy: -766.756
Base-Backbone interact. energy: -0.709
local terms energy: -883.345285
where:
bonds (distance) C4'-P energy: -170.030
bonds (distance) P-C4' energy: -175.322
flat angles C4'-P-C4' energy: -193.550
flat angles P-C4'-P energy: -109.747
tors. eta vs tors. theta energy: -234.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -2608.293636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2608.293636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2608.293636 (E_RNA)
where:
Base-Base interactions energy: -1769.576
where: short stacking energy: -726.259
Base-Backbone interact. energy: -4.874
local terms energy: -833.844134
where:
bonds (distance) C4'-P energy: -146.774
bonds (distance) P-C4' energy: -178.167
flat angles C4'-P-C4' energy: -179.272
flat angles P-C4'-P energy: -116.378
tors. eta vs tors. theta energy: -213.253
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: 1
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -2337.109419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2337.109419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2337.109419 (E_RNA)
where:
Base-Base interactions energy: -1524.136
where: short stacking energy: -649.275
Base-Backbone interact. energy: 1.021
local terms energy: -813.994112
where:
bonds (distance) C4'-P energy: -180.418
bonds (distance) P-C4' energy: -168.209
flat angles C4'-P-C4' energy: -159.047
flat angles P-C4'-P energy: -106.271
tors. eta vs tors. theta energy: -200.048
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: 6, replica: 9
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -2036.392551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.392551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.392551 (E_RNA)
where:
Base-Base interactions energy: -1320.576
where: short stacking energy: -560.820
Base-Backbone interact. energy: -1.782
local terms energy: -714.034690
where:
bonds (distance) C4'-P energy: -146.562
bonds (distance) P-C4' energy: -160.325
flat angles C4'-P-C4' energy: -179.892
flat angles P-C4'-P energy: -103.120
tors. eta vs tors. theta energy: -124.136
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: 5
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -1488.009747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.009747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.009747 (E_RNA)
where:
Base-Base interactions energy: -894.977
where: short stacking energy: -422.636
Base-Backbone interact. energy: 2.106
local terms energy: -595.138686
where:
bonds (distance) C4'-P energy: -137.053
bonds (distance) P-C4' energy: -151.262
flat angles C4'-P-C4' energy: -143.561
flat angles P-C4'-P energy: -90.455
tors. eta vs tors. theta energy: -72.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -1303.072045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.072045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.072045 (E_RNA)
where:
Base-Base interactions energy: -732.464
where: short stacking energy: -350.325
Base-Backbone interact. energy: -1.969
local terms energy: -568.638545
where:
bonds (distance) C4'-P energy: -130.172
bonds (distance) P-C4' energy: -170.907
flat angles C4'-P-C4' energy: -132.968
flat angles P-C4'-P energy: -85.950
tors. eta vs tors. theta energy: -48.640
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: 2
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -1057.000652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.000652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.000652 (E_RNA)
where:
Base-Base interactions energy: -544.306
where: short stacking energy: -305.813
Base-Backbone interact. energy: -3.148
local terms energy: -509.546484
where:
bonds (distance) C4'-P energy: -154.852
bonds (distance) P-C4' energy: -134.802
flat angles C4'-P-C4' energy: -135.720
flat angles P-C4'-P energy: -73.072
tors. eta vs tors. theta energy: -11.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -730.102143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.102143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.102143 (E_RNA)
where:
Base-Base interactions energy: -292.385
where: short stacking energy: -184.593
Base-Backbone interact. energy: 4.146
local terms energy: -441.863096
where:
bonds (distance) C4'-P energy: -127.441
bonds (distance) P-C4' energy: -147.991
flat angles C4'-P-C4' energy: -123.710
flat angles P-C4'-P energy: -57.663
tors. eta vs tors. theta energy: 14.943
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: 335
Temperature: 0.900000
Total energy: -3025.169241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3025.169241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3025.169241 (E_RNA)
where:
Base-Base interactions energy: -2085.818
where: short stacking energy: -866.646
Base-Backbone interact. energy: -5.264
local terms energy: -934.087385
where:
bonds (distance) C4'-P energy: -157.048
bonds (distance) P-C4' energy: -173.984
flat angles C4'-P-C4' energy: -202.155
flat angles P-C4'-P energy: -133.305
tors. eta vs tors. theta energy: -267.596
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: 2, replica: 10
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -2907.241500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2907.241500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2907.241500 (E_RNA)
where:
Base-Base interactions energy: -1982.625
where: short stacking energy: -832.723
Base-Backbone interact. energy: -7.193
local terms energy: -917.423328
where:
bonds (distance) C4'-P energy: -170.201
bonds (distance) P-C4' energy: -164.044
flat angles C4'-P-C4' energy: -194.067
flat angles P-C4'-P energy: -134.443
tors. eta vs tors. theta energy: -254.669
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: 3, replica: 6
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -2637.789980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2637.789980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2637.789980 (E_RNA)
where:
Base-Base interactions energy: -1812.028
where: short stacking energy: -759.678
Base-Backbone interact. energy: 0.519
local terms energy: -826.280848
where:
bonds (distance) C4'-P energy: -163.886
bonds (distance) P-C4' energy: -142.081
flat angles C4'-P-C4' energy: -185.398
flat angles P-C4'-P energy: -109.434
tors. eta vs tors. theta energy: -225.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -2589.927078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2589.927078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2589.927078 (E_RNA)
where:
Base-Base interactions energy: -1778.051
where: short stacking energy: -740.982
Base-Backbone interact. energy: 2.408
local terms energy: -814.284744
where:
bonds (distance) C4'-P energy: -158.525
bonds (distance) P-C4' energy: -151.866
flat angles C4'-P-C4' energy: -166.553
flat angles P-C4'-P energy: -125.540
tors. eta vs tors. theta energy: -211.801
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: 1
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -2363.726315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2363.726315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2363.726315 (E_RNA)
where:
Base-Base interactions energy: -1558.600
where: short stacking energy: -641.339
Base-Backbone interact. energy: -2.816
local terms energy: -802.310464
where:
bonds (distance) C4'-P energy: -153.502
bonds (distance) P-C4' energy: -157.541
flat angles C4'-P-C4' energy: -177.715
flat angles P-C4'-P energy: -124.232
tors. eta vs tors. theta energy: -189.321
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: 9
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -2014.301688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.301688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2014.301688 (E_RNA)
where:
Base-Base interactions energy: -1310.157
where: short stacking energy: -574.476
Base-Backbone interact. energy: 2.099
local terms energy: -706.242999
where:
bonds (distance) C4'-P energy: -138.952
bonds (distance) P-C4' energy: -157.519
flat angles C4'-P-C4' energy: -175.455
flat angles P-C4'-P energy: -97.423
tors. eta vs tors. theta energy: -136.894
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: 5
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -1531.716077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.716077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.716077 (E_RNA)
where:
Base-Base interactions energy: -911.775
where: short stacking energy: -448.910
Base-Backbone interact. energy: -5.527
local terms energy: -614.413504
where:
bonds (distance) C4'-P energy: -135.939
bonds (distance) P-C4' energy: -145.059
flat angles C4'-P-C4' energy: -145.506
flat angles P-C4'-P energy: -93.747
tors. eta vs tors. theta energy: -94.162
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: 8, replica: 8
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -1353.278262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.278262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.278262 (E_RNA)
where:
Base-Base interactions energy: -791.359
where: short stacking energy: -407.494
Base-Backbone interact. energy: -1.569
local terms energy: -560.350424
where:
bonds (distance) C4'-P energy: -144.171
bonds (distance) P-C4' energy: -130.232
flat angles C4'-P-C4' energy: -138.788
flat angles P-C4'-P energy: -87.501
tors. eta vs tors. theta energy: -59.658
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: 335
Temperature: 1.300000
Total energy: -995.807784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.807784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.807784 (E_RNA)
where:
Base-Base interactions energy: -499.175
where: short stacking energy: -295.934
Base-Backbone interact. energy: 5.690
local terms energy: -502.322244
where:
bonds (distance) C4'-P energy: -135.896
bonds (distance) P-C4' energy: -140.803
flat angles C4'-P-C4' energy: -129.646
flat angles P-C4'-P energy: -73.059
tors. eta vs tors. theta energy: -22.917
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: 4
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -720.150893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.150893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.150893 (E_RNA)
where:
Base-Base interactions energy: -271.867
where: short stacking energy: -193.992
Base-Backbone interact. energy: 11.018
local terms energy: -459.301232
where:
bonds (distance) C4'-P energy: -163.812
bonds (distance) P-C4' energy: -135.191
flat angles C4'-P-C4' energy: -123.013
flat angles P-C4'-P energy: -56.420
tors. eta vs tors. theta energy: 19.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -3049.012768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3049.012768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3049.012768 (E_RNA)
where:
Base-Base interactions energy: -2059.558
where: short stacking energy: -865.533
Base-Backbone interact. energy: -3.991
local terms energy: -985.464690
where:
bonds (distance) C4'-P energy: -179.072
bonds (distance) P-C4' energy: -188.202
flat angles C4'-P-C4' energy: -211.119
flat angles P-C4'-P energy: -135.993
tors. eta vs tors. theta energy: -271.077
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: 10
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -2912.386632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2912.386632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2912.386632 (E_RNA)
where:
Base-Base interactions energy: -1978.729
where: short stacking energy: -829.677
Base-Backbone interact. energy: -5.933
local terms energy: -927.724341
where:
bonds (distance) C4'-P energy: -185.061
bonds (distance) P-C4' energy: -157.127
flat angles C4'-P-C4' energy: -204.068
flat angles P-C4'-P energy: -134.748
tors. eta vs tors. theta energy: -246.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -2661.296592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2661.296592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2661.296592 (E_RNA)
where:
Base-Base interactions energy: -1788.170
where: short stacking energy: -753.591
Base-Backbone interact. energy: -6.348
local terms energy: -866.778498
where:
bonds (distance) C4'-P energy: -145.721
bonds (distance) P-C4' energy: -185.960
flat angles C4'-P-C4' energy: -194.915
flat angles P-C4'-P energy: -117.237
tors. eta vs tors. theta energy: -222.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -2610.747657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2610.747657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2610.747657 (E_RNA)
where:
Base-Base interactions energy: -1799.270
where: short stacking energy: -742.819
Base-Backbone interact. energy: -3.830
local terms energy: -807.647510
where:
bonds (distance) C4'-P energy: -150.277
bonds (distance) P-C4' energy: -166.477
flat angles C4'-P-C4' energy: -175.786
flat angles P-C4'-P energy: -96.382
tors. eta vs tors. theta energy: -218.726
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: 1
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -2389.492415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2389.492415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2389.492415 (E_RNA)
where:
Base-Base interactions energy: -1616.720
where: short stacking energy: -687.181
Base-Backbone interact. energy: 1.163
local terms energy: -773.935352
where:
bonds (distance) C4'-P energy: -162.932
bonds (distance) P-C4' energy: -135.734
flat angles C4'-P-C4' energy: -162.957
flat angles P-C4'-P energy: -113.367
tors. eta vs tors. theta energy: -198.945
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: 9
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -2050.747354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.747354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.747354 (E_RNA)
where:
Base-Base interactions energy: -1331.528
where: short stacking energy: -582.540
Base-Backbone interact. energy: -2.790
local terms energy: -716.429210
where:
bonds (distance) C4'-P energy: -157.823
bonds (distance) P-C4' energy: -161.177
flat angles C4'-P-C4' energy: -158.586
flat angles P-C4'-P energy: -92.820
tors. eta vs tors. theta energy: -146.023
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: 336
Temperature: 1.200000
Total energy: -1582.840660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.840660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.840660 (E_RNA)
where:
Base-Base interactions energy: -947.468
where: short stacking energy: -464.768
Base-Backbone interact. energy: 0.260
local terms energy: -635.633148
where:
bonds (distance) C4'-P energy: -169.391
bonds (distance) P-C4' energy: -160.108
flat angles C4'-P-C4' energy: -147.231
flat angles P-C4'-P energy: -81.520
tors. eta vs tors. theta energy: -77.384
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: 8
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -1353.850700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.850700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.850700 (E_RNA)
where:
Base-Base interactions energy: -795.944
where: short stacking energy: -387.013
Base-Backbone interact. energy: 3.370
local terms energy: -561.277303
where:
bonds (distance) C4'-P energy: -156.257
bonds (distance) P-C4' energy: -140.623
flat angles C4'-P-C4' energy: -136.230
flat angles P-C4'-P energy: -69.227
tors. eta vs tors. theta energy: -58.939
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: 336
Temperature: 1.300000
Total energy: -973.295265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.295265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.295265 (E_RNA)
where:
Base-Base interactions energy: -500.073
where: short stacking energy: -273.438
Base-Backbone interact. energy: 3.888
local terms energy: -477.111134
where:
bonds (distance) C4'-P energy: -150.380
bonds (distance) P-C4' energy: -131.692
flat angles C4'-P-C4' energy: -131.457
flat angles P-C4'-P energy: -72.963
tors. eta vs tors. theta energy: 9.381
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: 4
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -749.328378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.328378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.328378 (E_RNA)
where:
Base-Base interactions energy: -297.984
where: short stacking energy: -227.802
Base-Backbone interact. energy: -1.994
local terms energy: -449.350056
where:
bonds (distance) C4'-P energy: -134.772
bonds (distance) P-C4' energy: -144.070
flat angles C4'-P-C4' energy: -126.246
flat angles P-C4'-P energy: -63.932
tors. eta vs tors. theta energy: 19.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -3029.856820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3029.856820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3029.856820 (E_RNA)
where:
Base-Base interactions energy: -2067.731
where: short stacking energy: -892.993
Base-Backbone interact. energy: 1.257
local terms energy: -963.382867
where:
bonds (distance) C4'-P energy: -152.209
bonds (distance) P-C4' energy: -193.357
flat angles C4'-P-C4' energy: -209.060
flat angles P-C4'-P energy: -142.848
tors. eta vs tors. theta energy: -265.909
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: 2, replica: 10
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -2883.762502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2883.762502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2883.762502 (E_RNA)
where:
Base-Base interactions energy: -1963.651
where: short stacking energy: -796.929
Base-Backbone interact. energy: -11.256
local terms energy: -908.856226
where:
bonds (distance) C4'-P energy: -174.996
bonds (distance) P-C4' energy: -175.439
flat angles C4'-P-C4' energy: -191.550
flat angles P-C4'-P energy: -133.901
tors. eta vs tors. theta energy: -232.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -2689.543218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2689.543218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2689.543218 (E_RNA)
where:
Base-Base interactions energy: -1787.641
where: short stacking energy: -767.008
Base-Backbone interact. energy: -1.459
local terms energy: -900.442695
where:
bonds (distance) C4'-P energy: -163.889
bonds (distance) P-C4' energy: -182.028
flat angles C4'-P-C4' energy: -198.618
flat angles P-C4'-P energy: -135.809
tors. eta vs tors. theta energy: -220.098
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: 3
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -2593.700863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2593.700863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2593.700863 (E_RNA)
where:
Base-Base interactions energy: -1780.080
where: short stacking energy: -719.494
Base-Backbone interact. energy: -0.893
local terms energy: -812.728476
where:
bonds (distance) C4'-P energy: -167.539
bonds (distance) P-C4' energy: -142.729
flat angles C4'-P-C4' energy: -180.685
flat angles P-C4'-P energy: -107.873
tors. eta vs tors. theta energy: -213.903
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: 1
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -2359.051540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2359.051540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2359.051540 (E_RNA)
where:
Base-Base interactions energy: -1543.192
where: short stacking energy: -662.408
Base-Backbone interact. energy: -3.322
local terms energy: -812.537908
where:
bonds (distance) C4'-P energy: -146.658
bonds (distance) P-C4' energy: -184.772
flat angles C4'-P-C4' energy: -181.770
flat angles P-C4'-P energy: -112.472
tors. eta vs tors. theta energy: -186.866
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: 6, replica: 9
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -2024.419336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.419336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.419336 (E_RNA)
where:
Base-Base interactions energy: -1269.200
where: short stacking energy: -557.971
Base-Backbone interact. energy: 0.107
local terms energy: -755.326987
where:
bonds (distance) C4'-P energy: -157.974
bonds (distance) P-C4' energy: -168.946
flat angles C4'-P-C4' energy: -175.744
flat angles P-C4'-P energy: -96.611
tors. eta vs tors. theta energy: -156.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -1513.460452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.460452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.460452 (E_RNA)
where:
Base-Base interactions energy: -864.076
where: short stacking energy: -422.740
Base-Backbone interact. energy: 0.731
local terms energy: -650.115746
where:
bonds (distance) C4'-P energy: -159.099
bonds (distance) P-C4' energy: -158.918
flat angles C4'-P-C4' energy: -155.044
flat angles P-C4'-P energy: -98.292
tors. eta vs tors. theta energy: -78.763
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: 8
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -1281.287448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.287448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.287448 (E_RNA)
where:
Base-Base interactions energy: -726.792
where: short stacking energy: -345.179
Base-Backbone interact. energy: 0.615
local terms energy: -555.110251
where:
bonds (distance) C4'-P energy: -138.578
bonds (distance) P-C4' energy: -156.795
flat angles C4'-P-C4' energy: -137.471
flat angles P-C4'-P energy: -76.526
tors. eta vs tors. theta energy: -45.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -967.695279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.695279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.695279 (E_RNA)
where:
Base-Base interactions energy: -482.072
where: short stacking energy: -248.205
Base-Backbone interact. energy: 3.287
local terms energy: -488.910443
where:
bonds (distance) C4'-P energy: -149.314
bonds (distance) P-C4' energy: -144.060
flat angles C4'-P-C4' energy: -123.028
flat angles P-C4'-P energy: -75.178
tors. eta vs tors. theta energy: 2.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -798.884856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.884856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.884856 (E_RNA)
where:
Base-Base interactions energy: -342.458
where: short stacking energy: -259.061
Base-Backbone interact. energy: -0.507
local terms energy: -455.919587
where:
bonds (distance) C4'-P energy: -131.931
bonds (distance) P-C4' energy: -149.449
flat angles C4'-P-C4' energy: -119.226
flat angles P-C4'-P energy: -79.847
tors. eta vs tors. theta energy: 24.533
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: 1, replica: 7
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -3017.874894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3017.874894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3017.874894 (E_RNA)
where:
Base-Base interactions energy: -2055.791
where: short stacking energy: -877.968
Base-Backbone interact. energy: 2.223
local terms energy: -964.306505
where:
bonds (distance) C4'-P energy: -169.469
bonds (distance) P-C4' energy: -169.289
flat angles C4'-P-C4' energy: -212.542
flat angles P-C4'-P energy: -136.977
tors. eta vs tors. theta energy: -276.031
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: 338
Temperature: 0.950000
Total energy: -2891.751252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2891.751252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2891.751252 (E_RNA)
where:
Base-Base interactions energy: -1990.093
where: short stacking energy: -803.993
Base-Backbone interact. energy: -5.275
local terms energy: -896.383213
where:
bonds (distance) C4'-P energy: -173.100
bonds (distance) P-C4' energy: -175.173
flat angles C4'-P-C4' energy: -188.112
flat angles P-C4'-P energy: -117.443
tors. eta vs tors. theta energy: -242.556
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: 6
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -2713.840511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2713.840511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2713.840511 (E_RNA)
where:
Base-Base interactions energy: -1830.861
where: short stacking energy: -782.744
Base-Backbone interact. energy: -1.016
local terms energy: -881.963453
where:
bonds (distance) C4'-P energy: -163.109
bonds (distance) P-C4' energy: -169.624
flat angles C4'-P-C4' energy: -184.455
flat angles P-C4'-P energy: -133.456
tors. eta vs tors. theta energy: -231.319
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: 4, replica: 3
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -2570.391263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2570.391263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2570.391263 (E_RNA)
where:
Base-Base interactions energy: -1711.782
where: short stacking energy: -744.874
Base-Backbone interact. energy: -2.109
local terms energy: -856.499986
where:
bonds (distance) C4'-P energy: -168.407
bonds (distance) P-C4' energy: -163.922
flat angles C4'-P-C4' energy: -181.924
flat angles P-C4'-P energy: -127.855
tors. eta vs tors. theta energy: -214.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -2416.356459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2416.356459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2416.356459 (E_RNA)
where:
Base-Base interactions energy: -1634.211
where: short stacking energy: -658.800
Base-Backbone interact. energy: -5.853
local terms energy: -776.292052
where:
bonds (distance) C4'-P energy: -155.868
bonds (distance) P-C4' energy: -137.712
flat angles C4'-P-C4' energy: -179.580
flat angles P-C4'-P energy: -107.766
tors. eta vs tors. theta energy: -195.366
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: 6, replica: 9
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -2025.571917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.571917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.571917 (E_RNA)
where:
Base-Base interactions energy: -1315.438
where: short stacking energy: -601.479
Base-Backbone interact. energy: 0.646
local terms energy: -710.780134
where:
bonds (distance) C4'-P energy: -139.664
bonds (distance) P-C4' energy: -178.227
flat angles C4'-P-C4' energy: -158.396
flat angles P-C4'-P energy: -99.676
tors. eta vs tors. theta energy: -134.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -1495.177900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.177900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.177900 (E_RNA)
where:
Base-Base interactions energy: -907.530
where: short stacking energy: -446.895
Base-Backbone interact. energy: 2.139
local terms energy: -589.786834
where:
bonds (distance) C4'-P energy: -134.700
bonds (distance) P-C4' energy: -153.120
flat angles C4'-P-C4' energy: -132.896
flat angles P-C4'-P energy: -82.072
tors. eta vs tors. theta energy: -86.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -1313.556263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.556263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.556263 (E_RNA)
where:
Base-Base interactions energy: -754.286
where: short stacking energy: -345.673
Base-Backbone interact. energy: 2.816
local terms energy: -562.086628
where:
bonds (distance) C4'-P energy: -163.365
bonds (distance) P-C4' energy: -116.727
flat angles C4'-P-C4' energy: -123.825
flat angles P-C4'-P energy: -105.052
tors. eta vs tors. theta energy: -53.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -1030.851410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.851410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.851410 (E_RNA)
where:
Base-Base interactions energy: -547.412
where: short stacking energy: -303.477
Base-Backbone interact. energy: -3.716
local terms energy: -479.723891
where:
bonds (distance) C4'-P energy: -123.339
bonds (distance) P-C4' energy: -146.635
flat angles C4'-P-C4' energy: -130.573
flat angles P-C4'-P energy: -53.896
tors. eta vs tors. theta energy: -25.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -744.725425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.725425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.725425 (E_RNA)
where:
Base-Base interactions energy: -290.344
where: short stacking energy: -195.632
Base-Backbone interact. energy: 6.517
local terms energy: -460.898281
where:
bonds (distance) C4'-P energy: -155.458
bonds (distance) P-C4' energy: -149.847
flat angles C4'-P-C4' energy: -134.146
flat angles P-C4'-P energy: -62.586
tors. eta vs tors. theta energy: 41.140
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: 7
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -3063.516698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3063.516698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3063.516698 (E_RNA)
where:
Base-Base interactions energy: -2088.345
where: short stacking energy: -891.196
Base-Backbone interact. energy: -3.747
local terms energy: -971.424402
where:
bonds (distance) C4'-P energy: -167.643
bonds (distance) P-C4' energy: -185.292
flat angles C4'-P-C4' energy: -204.777
flat angles P-C4'-P energy: -139.359
tors. eta vs tors. theta energy: -274.352
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: 10
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -2923.148069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2923.148069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2923.148069 (E_RNA)
where:
Base-Base interactions energy: -1996.082
where: short stacking energy: -826.032
Base-Backbone interact. energy: -5.483
local terms energy: -921.582920
where:
bonds (distance) C4'-P energy: -177.079
bonds (distance) P-C4' energy: -182.955
flat angles C4'-P-C4' energy: -185.829
flat angles P-C4'-P energy: -119.345
tors. eta vs tors. theta energy: -256.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -2702.141913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2702.141913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2702.141913 (E_RNA)
where:
Base-Base interactions energy: -1832.952
where: short stacking energy: -788.070
Base-Backbone interact. energy: 1.771
local terms energy: -870.960251
where:
bonds (distance) C4'-P energy: -166.888
bonds (distance) P-C4' energy: -163.619
flat angles C4'-P-C4' energy: -187.931
flat angles P-C4'-P energy: -129.505
tors. eta vs tors. theta energy: -223.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -2619.773364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2619.773364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2619.773364 (E_RNA)
where:
Base-Base interactions energy: -1759.558
where: short stacking energy: -697.773
Base-Backbone interact. energy: -4.243
local terms energy: -855.972540
where:
bonds (distance) C4'-P energy: -153.795
bonds (distance) P-C4' energy: -181.802
flat angles C4'-P-C4' energy: -183.411
flat angles P-C4'-P energy: -136.068
tors. eta vs tors. theta energy: -200.898
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: 5, replica: 1
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -2357.053484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2357.053484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2357.053484 (E_RNA)
where:
Base-Base interactions energy: -1523.307
where: short stacking energy: -692.187
Base-Backbone interact. energy: -2.826
local terms energy: -830.920576
where:
bonds (distance) C4'-P energy: -155.619
bonds (distance) P-C4' energy: -177.226
flat angles C4'-P-C4' energy: -178.828
flat angles P-C4'-P energy: -108.123
tors. eta vs tors. theta energy: -211.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -2049.246543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2049.246543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.246543 (E_RNA)
where:
Base-Base interactions energy: -1296.699
where: short stacking energy: -591.066
Base-Backbone interact. energy: -5.022
local terms energy: -747.525608
where:
bonds (distance) C4'-P energy: -157.939
bonds (distance) P-C4' energy: -157.405
flat angles C4'-P-C4' energy: -157.350
flat angles P-C4'-P energy: -118.821
tors. eta vs tors. theta energy: -156.011
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: 7, replica: 5
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -1457.411397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.411397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.411397 (E_RNA)
where:
Base-Base interactions energy: -885.932
where: short stacking energy: -412.814
Base-Backbone interact. energy: -1.087
local terms energy: -570.392693
where:
bonds (distance) C4'-P energy: -121.919
bonds (distance) P-C4' energy: -153.396
flat angles C4'-P-C4' energy: -143.598
flat angles P-C4'-P energy: -78.359
tors. eta vs tors. theta energy: -73.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -1301.217798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.217798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.217798 (E_RNA)
where:
Base-Base interactions energy: -753.486
where: short stacking energy: -354.733
Base-Backbone interact. energy: -2.449
local terms energy: -545.283159
where:
bonds (distance) C4'-P energy: -132.920
bonds (distance) P-C4' energy: -167.330
flat angles C4'-P-C4' energy: -146.905
flat angles P-C4'-P energy: -70.229
tors. eta vs tors. theta energy: -27.899
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: 339
Temperature: 1.300000
Total energy: -1057.780202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.780202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.780202 (E_RNA)
where:
Base-Base interactions energy: -540.896
where: short stacking energy: -297.021
Base-Backbone interact. energy: 1.536
local terms energy: -518.420387
where:
bonds (distance) C4'-P energy: -126.634
bonds (distance) P-C4' energy: -168.126
flat angles C4'-P-C4' energy: -142.908
flat angles P-C4'-P energy: -62.501
tors. eta vs tors. theta energy: -18.251
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: 4
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -778.557902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.557902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.557902 (E_RNA)
where:
Base-Base interactions energy: -307.836
where: short stacking energy: -217.579
Base-Backbone interact. energy: 3.059
local terms energy: -473.780780
where:
bonds (distance) C4'-P energy: -155.321
bonds (distance) P-C4' energy: -146.458
flat angles C4'-P-C4' energy: -138.287
flat angles P-C4'-P energy: -55.464
tors. eta vs tors. theta energy: 21.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -3020.834919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3020.834919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3020.834919 (E_RNA)
where:
Base-Base interactions energy: -2043.720
where: short stacking energy: -855.124
Base-Backbone interact. energy: 1.746
local terms energy: -978.861199
where:
bonds (distance) C4'-P energy: -171.625
bonds (distance) P-C4' energy: -183.243
flat angles C4'-P-C4' energy: -211.615
flat angles P-C4'-P energy: -142.760
tors. eta vs tors. theta energy: -269.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -2899.186314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2899.186314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2899.186314 (E_RNA)
where:
Base-Base interactions energy: -1976.972
where: short stacking energy: -827.152
Base-Backbone interact. energy: -0.532
local terms energy: -921.682526
where:
bonds (distance) C4'-P energy: -167.065
bonds (distance) P-C4' energy: -173.270
flat angles C4'-P-C4' energy: -212.112
flat angles P-C4'-P energy: -117.946
tors. eta vs tors. theta energy: -251.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -2670.289034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2670.289034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2670.289034 (E_RNA)
where:
Base-Base interactions energy: -1785.369
where: short stacking energy: -748.202
Base-Backbone interact. energy: -1.515
local terms energy: -883.405741
where:
bonds (distance) C4'-P energy: -172.753
bonds (distance) P-C4' energy: -176.544
flat angles C4'-P-C4' energy: -181.646
flat angles P-C4'-P energy: -128.683
tors. eta vs tors. theta energy: -223.779
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: 3
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -2526.281312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2526.281312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2526.281312 (E_RNA)
where:
Base-Base interactions energy: -1692.640
where: short stacking energy: -697.743
Base-Backbone interact. energy: -2.405
local terms energy: -831.235742
where:
bonds (distance) C4'-P energy: -164.930
bonds (distance) P-C4' energy: -176.715
flat angles C4'-P-C4' energy: -170.438
flat angles P-C4'-P energy: -120.982
tors. eta vs tors. theta energy: -198.171
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: 1
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -2397.291052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2397.291052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2397.291052 (E_RNA)
where:
Base-Base interactions energy: -1610.099
where: short stacking energy: -670.179
Base-Backbone interact. energy: -1.503
local terms energy: -785.688597
where:
bonds (distance) C4'-P energy: -157.785
bonds (distance) P-C4' energy: -158.672
flat angles C4'-P-C4' energy: -174.990
flat angles P-C4'-P energy: -109.907
tors. eta vs tors. theta energy: -184.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -2037.736655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.736655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.736655 (E_RNA)
where:
Base-Base interactions energy: -1317.564
where: short stacking energy: -583.384
Base-Backbone interact. energy: -1.268
local terms energy: -718.904355
where:
bonds (distance) C4'-P energy: -170.696
bonds (distance) P-C4' energy: -158.187
flat angles C4'-P-C4' energy: -150.776
flat angles P-C4'-P energy: -97.731
tors. eta vs tors. theta energy: -141.514
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: 5
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -1480.301862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.301862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.301862 (E_RNA)
where:
Base-Base interactions energy: -848.971
where: short stacking energy: -394.048
Base-Backbone interact. energy: -3.782
local terms energy: -627.549281
where:
bonds (distance) C4'-P energy: -147.740
bonds (distance) P-C4' energy: -155.298
flat angles C4'-P-C4' energy: -156.779
flat angles P-C4'-P energy: -90.478
tors. eta vs tors. theta energy: -77.254
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: 340
Temperature: 1.250000
Total energy: -1382.992993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.992993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.992993 (E_RNA)
where:
Base-Base interactions energy: -803.348
where: short stacking energy: -390.757
Base-Backbone interact. energy: 3.105
local terms energy: -582.750881
where:
bonds (distance) C4'-P energy: -146.146
bonds (distance) P-C4' energy: -162.746
flat angles C4'-P-C4' energy: -124.804
flat angles P-C4'-P energy: -90.096
tors. eta vs tors. theta energy: -58.959
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: 340
Temperature: 1.300000
Total energy: -968.473266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.473266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.473266 (E_RNA)
where:
Base-Base interactions energy: -495.220
where: short stacking energy: -276.647
Base-Backbone interact. energy: -4.030
local terms energy: -469.222400
where:
bonds (distance) C4'-P energy: -115.440
bonds (distance) P-C4' energy: -139.676
flat angles C4'-P-C4' energy: -165.170
flat angles P-C4'-P energy: -58.531
tors. eta vs tors. theta energy: 9.594
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: 4
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -742.684500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.684500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.684500 (E_RNA)
where:
Base-Base interactions energy: -323.537
where: short stacking energy: -201.536
Base-Backbone interact. energy: 5.548
local terms energy: -424.695990
where:
bonds (distance) C4'-P energy: -124.348
bonds (distance) P-C4' energy: -135.606
flat angles C4'-P-C4' energy: -110.211
flat angles P-C4'-P energy: -85.935
tors. eta vs tors. theta energy: 31.404
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: 7
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -3031.641854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3031.641854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3031.641854 (E_RNA)
where:
Base-Base interactions energy: -2066.002
where: short stacking energy: -875.022
Base-Backbone interact. energy: -3.002
local terms energy: -962.637651
where:
bonds (distance) C4'-P energy: -171.666
bonds (distance) P-C4' energy: -174.316
flat angles C4'-P-C4' energy: -200.837
flat angles P-C4'-P energy: -149.210
tors. eta vs tors. theta energy: -266.608
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: 341
Temperature: 0.950000
Total energy: -2957.104133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2957.104133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2957.104133 (E_RNA)
where:
Base-Base interactions energy: -2043.968
where: short stacking energy: -836.747
Base-Backbone interact. energy: -1.732
local terms energy: -911.404307
where:
bonds (distance) C4'-P energy: -175.283
bonds (distance) P-C4' energy: -157.981
flat angles C4'-P-C4' energy: -197.904
flat angles P-C4'-P energy: -119.888
tors. eta vs tors. theta energy: -260.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -2724.397396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2724.397396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2724.397396 (E_RNA)
where:
Base-Base interactions energy: -1824.758
where: short stacking energy: -748.964
Base-Backbone interact. energy: -5.534
local terms energy: -894.106074
where:
bonds (distance) C4'-P energy: -169.851
bonds (distance) P-C4' energy: -168.908
flat angles C4'-P-C4' energy: -192.290
flat angles P-C4'-P energy: -137.502
tors. eta vs tors. theta energy: -225.555
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: 4, replica: 3
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -2545.705776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2545.705776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2545.705776 (E_RNA)
where:
Base-Base interactions energy: -1741.505
where: short stacking energy: -706.636
Base-Backbone interact. energy: 2.115
local terms energy: -806.316733
where:
bonds (distance) C4'-P energy: -168.667
bonds (distance) P-C4' energy: -183.849
flat angles C4'-P-C4' energy: -160.008
flat angles P-C4'-P energy: -111.504
tors. eta vs tors. theta energy: -182.289
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: 1
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -2388.775122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2388.775122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2388.775122 (E_RNA)
where:
Base-Base interactions energy: -1608.281
where: short stacking energy: -691.570
Base-Backbone interact. energy: 0.911
local terms energy: -781.405411
where:
bonds (distance) C4'-P energy: -167.178
bonds (distance) P-C4' energy: -145.486
flat angles C4'-P-C4' energy: -175.191
flat angles P-C4'-P energy: -109.052
tors. eta vs tors. theta energy: -184.498
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: 9
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -2026.339361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.339361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.339361 (E_RNA)
where:
Base-Base interactions energy: -1280.702
where: short stacking energy: -554.721
Base-Backbone interact. energy: 1.021
local terms energy: -746.658850
where:
bonds (distance) C4'-P energy: -155.107
bonds (distance) P-C4' energy: -185.180
flat angles C4'-P-C4' energy: -176.021
flat angles P-C4'-P energy: -96.554
tors. eta vs tors. theta energy: -133.798
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: 7, replica: 5
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -1493.261349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.261349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1493.261349 (E_RNA)
where:
Base-Base interactions energy: -891.222
where: short stacking energy: -441.991
Base-Backbone interact. energy: -1.829
local terms energy: -600.210091
where:
bonds (distance) C4'-P energy: -135.135
bonds (distance) P-C4' energy: -153.201
flat angles C4'-P-C4' energy: -156.052
flat angles P-C4'-P energy: -82.767
tors. eta vs tors. theta energy: -73.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -1330.228474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.228474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.228474 (E_RNA)
where:
Base-Base interactions energy: -783.831
where: short stacking energy: -387.965
Base-Backbone interact. energy: -0.357
local terms energy: -546.039737
where:
bonds (distance) C4'-P energy: -115.997
bonds (distance) P-C4' energy: -154.614
flat angles C4'-P-C4' energy: -138.763
flat angles P-C4'-P energy: -80.746
tors. eta vs tors. theta energy: -55.920
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: 341
Temperature: 1.300000
Total energy: -1029.276133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.276133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.276133 (E_RNA)
where:
Base-Base interactions energy: -538.115
where: short stacking energy: -281.000
Base-Backbone interact. energy: -3.144
local terms energy: -488.016754
where:
bonds (distance) C4'-P energy: -131.425
bonds (distance) P-C4' energy: -155.035
flat angles C4'-P-C4' energy: -113.091
flat angles P-C4'-P energy: -66.501
tors. eta vs tors. theta energy: -21.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -811.327651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.327651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.327651 (E_RNA)
where:
Base-Base interactions energy: -312.698
where: short stacking energy: -183.867
Base-Backbone interact. energy: -1.519
local terms energy: -497.110782
where:
bonds (distance) C4'-P energy: -144.070
bonds (distance) P-C4' energy: -156.629
flat angles C4'-P-C4' energy: -133.130
flat angles P-C4'-P energy: -88.619
tors. eta vs tors. theta energy: 25.338
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: 7
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -3032.047877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3032.047877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3032.047877 (E_RNA)
where:
Base-Base interactions energy: -2061.200
where: short stacking energy: -873.300
Base-Backbone interact. energy: -0.873
local terms energy: -969.975545
where:
bonds (distance) C4'-P energy: -181.477
bonds (distance) P-C4' energy: -184.866
flat angles C4'-P-C4' energy: -202.795
flat angles P-C4'-P energy: -138.035
tors. eta vs tors. theta energy: -262.802
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: 10
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -2956.575947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2956.575947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2956.575947 (E_RNA)
where:
Base-Base interactions energy: -2049.684
where: short stacking energy: -866.898
Base-Backbone interact. energy: -2.709
local terms energy: -904.182785
where:
bonds (distance) C4'-P energy: -153.028
bonds (distance) P-C4' energy: -163.552
flat angles C4'-P-C4' energy: -198.232
flat angles P-C4'-P energy: -138.969
tors. eta vs tors. theta energy: -250.402
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: 6
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -2739.880138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2739.880138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2739.880138 (E_RNA)
where:
Base-Base interactions energy: -1845.861
where: short stacking energy: -778.121
Base-Backbone interact. energy: -3.450
local terms energy: -890.569341
where:
bonds (distance) C4'-P energy: -158.069
bonds (distance) P-C4' energy: -181.887
flat angles C4'-P-C4' energy: -189.348
flat angles P-C4'-P energy: -131.633
tors. eta vs tors. theta energy: -229.632
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: 3
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -2614.913920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2614.913920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2614.913920 (E_RNA)
where:
Base-Base interactions energy: -1811.508
where: short stacking energy: -750.511
Base-Backbone interact. energy: 1.504
local terms energy: -804.909378
where:
bonds (distance) C4'-P energy: -138.115
bonds (distance) P-C4' energy: -164.725
flat angles C4'-P-C4' energy: -182.328
flat angles P-C4'-P energy: -104.478
tors. eta vs tors. theta energy: -215.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -2332.400513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2332.400513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2332.400513 (E_RNA)
where:
Base-Base interactions energy: -1551.783
where: short stacking energy: -648.482
Base-Backbone interact. energy: -0.420
local terms energy: -780.197817
where:
bonds (distance) C4'-P energy: -170.792
bonds (distance) P-C4' energy: -156.611
flat angles C4'-P-C4' energy: -161.777
flat angles P-C4'-P energy: -108.365
tors. eta vs tors. theta energy: -182.653
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: 9
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -2002.666032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.666032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.666032 (E_RNA)
where:
Base-Base interactions energy: -1294.072
where: short stacking energy: -565.183
Base-Backbone interact. energy: -4.338
local terms energy: -704.255647
where:
bonds (distance) C4'-P energy: -138.229
bonds (distance) P-C4' energy: -177.758
flat angles C4'-P-C4' energy: -154.591
flat angles P-C4'-P energy: -91.827
tors. eta vs tors. theta energy: -141.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -1585.356076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.356076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.356076 (E_RNA)
where:
Base-Base interactions energy: -962.737
where: short stacking energy: -456.335
Base-Backbone interact. energy: -0.581
local terms energy: -622.039006
where:
bonds (distance) C4'-P energy: -126.973
bonds (distance) P-C4' energy: -168.922
flat angles C4'-P-C4' energy: -130.265
flat angles P-C4'-P energy: -99.370
tors. eta vs tors. theta energy: -96.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -1296.955020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.955020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.955020 (E_RNA)
where:
Base-Base interactions energy: -770.528
where: short stacking energy: -352.075
Base-Backbone interact. energy: 0.404
local terms energy: -526.830829
where:
bonds (distance) C4'-P energy: -138.536
bonds (distance) P-C4' energy: -143.529
flat angles C4'-P-C4' energy: -135.263
flat angles P-C4'-P energy: -92.165
tors. eta vs tors. theta energy: -17.338
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: 9, replica: 2
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -1101.352307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.352307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.352307 (E_RNA)
where:
Base-Base interactions energy: -575.115
where: short stacking energy: -316.634
Base-Backbone interact. energy: -2.082
local terms energy: -524.154806
where:
bonds (distance) C4'-P energy: -146.268
bonds (distance) P-C4' energy: -128.987
flat angles C4'-P-C4' energy: -136.827
flat angles P-C4'-P energy: -80.236
tors. eta vs tors. theta energy: -31.837
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: 4
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -792.365328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.365328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.365328 (E_RNA)
where:
Base-Base interactions energy: -347.580
where: short stacking energy: -247.037
Base-Backbone interact. energy: -1.145
local terms energy: -443.640432
where:
bonds (distance) C4'-P energy: -140.674
bonds (distance) P-C4' energy: -151.580
flat angles C4'-P-C4' energy: -92.770
flat angles P-C4'-P energy: -69.768
tors. eta vs tors. theta energy: 11.152
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: 343
Temperature: 0.900000
Total energy: -3026.673026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3026.673026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3026.673026 (E_RNA)
where:
Base-Base interactions energy: -2062.368
where: short stacking energy: -881.736
Base-Backbone interact. energy: -5.579
local terms energy: -958.726060
where:
bonds (distance) C4'-P energy: -180.892
bonds (distance) P-C4' energy: -182.401
flat angles C4'-P-C4' energy: -194.683
flat angles P-C4'-P energy: -133.517
tors. eta vs tors. theta energy: -267.233
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: 10
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -2904.468660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2904.468660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2904.468660 (E_RNA)
where:
Base-Base interactions energy: -2009.192
where: short stacking energy: -831.591
Base-Backbone interact. energy: -9.079
local terms energy: -886.197066
where:
bonds (distance) C4'-P energy: -164.306
bonds (distance) P-C4' energy: -160.620
flat angles C4'-P-C4' energy: -195.026
flat angles P-C4'-P energy: -123.578
tors. eta vs tors. theta energy: -242.667
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: 6
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -2678.631675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2678.631675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2678.631675 (E_RNA)
where:
Base-Base interactions energy: -1803.585
where: short stacking energy: -750.286
Base-Backbone interact. energy: -2.472
local terms energy: -872.575172
where:
bonds (distance) C4'-P energy: -174.538
bonds (distance) P-C4' energy: -172.447
flat angles C4'-P-C4' energy: -195.622
flat angles P-C4'-P energy: -118.287
tors. eta vs tors. theta energy: -211.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -2592.936285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2592.936285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2592.936285 (E_RNA)
where:
Base-Base interactions energy: -1777.407
where: short stacking energy: -743.330
Base-Backbone interact. energy: -3.927
local terms energy: -811.602864
where:
bonds (distance) C4'-P energy: -155.934
bonds (distance) P-C4' energy: -151.694
flat angles C4'-P-C4' energy: -188.245
flat angles P-C4'-P energy: -114.022
tors. eta vs tors. theta energy: -201.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -2307.125591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2307.125591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2307.125591 (E_RNA)
where:
Base-Base interactions energy: -1549.854
where: short stacking energy: -649.921
Base-Backbone interact. energy: -2.754
local terms energy: -754.516990
where:
bonds (distance) C4'-P energy: -166.820
bonds (distance) P-C4' energy: -143.889
flat angles C4'-P-C4' energy: -162.872
flat angles P-C4'-P energy: -105.082
tors. eta vs tors. theta energy: -175.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -2040.959255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.959255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.959255 (E_RNA)
where:
Base-Base interactions energy: -1324.761
where: short stacking energy: -557.069
Base-Backbone interact. energy: -4.157
local terms energy: -712.041801
where:
bonds (distance) C4'-P energy: -145.472
bonds (distance) P-C4' energy: -153.082
flat angles C4'-P-C4' energy: -177.132
flat angles P-C4'-P energy: -88.210
tors. eta vs tors. theta energy: -148.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -1531.408262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.408262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.408262 (E_RNA)
where:
Base-Base interactions energy: -887.587
where: short stacking energy: -435.598
Base-Backbone interact. energy: 0.699
local terms energy: -644.520497
where:
bonds (distance) C4'-P energy: -168.375
bonds (distance) P-C4' energy: -152.884
flat angles C4'-P-C4' energy: -148.640
flat angles P-C4'-P energy: -93.086
tors. eta vs tors. theta energy: -81.536
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: 8, replica: 8
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -1330.669645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.669645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.669645 (E_RNA)
where:
Base-Base interactions energy: -771.186
where: short stacking energy: -388.659
Base-Backbone interact. energy: -1.470
local terms energy: -558.013055
where:
bonds (distance) C4'-P energy: -137.515
bonds (distance) P-C4' energy: -161.436
flat angles C4'-P-C4' energy: -130.983
flat angles P-C4'-P energy: -74.140
tors. eta vs tors. theta energy: -53.939
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: 343
Temperature: 1.300000
Total energy: -1074.655007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.655007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.655007 (E_RNA)
where:
Base-Base interactions energy: -569.100
where: short stacking energy: -315.188
Base-Backbone interact. energy: -0.863
local terms energy: -504.692936
where:
bonds (distance) C4'-P energy: -130.436
bonds (distance) P-C4' energy: -147.630
flat angles C4'-P-C4' energy: -125.212
flat angles P-C4'-P energy: -79.557
tors. eta vs tors. theta energy: -21.857
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: 4
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -762.429992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.429992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.429992 (E_RNA)
where:
Base-Base interactions energy: -346.390
where: short stacking energy: -220.812
Base-Backbone interact. energy: -0.075
local terms energy: -415.965432
where:
bonds (distance) C4'-P energy: -128.195
bonds (distance) P-C4' energy: -145.628
flat angles C4'-P-C4' energy: -91.687
flat angles P-C4'-P energy: -70.708
tors. eta vs tors. theta energy: 20.252
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: 1, replica: 7
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -3013.291297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3013.291297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3013.291297 (E_RNA)
where:
Base-Base interactions energy: -2071.660
where: short stacking energy: -880.264
Base-Backbone interact. energy: 7.454
local terms energy: -949.084989
where:
bonds (distance) C4'-P energy: -171.493
bonds (distance) P-C4' energy: -181.862
flat angles C4'-P-C4' energy: -199.590
flat angles P-C4'-P energy: -127.336
tors. eta vs tors. theta energy: -268.805
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: 10
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -2921.220498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2921.220498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2921.220498 (E_RNA)
where:
Base-Base interactions energy: -1990.876
where: short stacking energy: -821.576
Base-Backbone interact. energy: -3.958
local terms energy: -926.386991
where:
bonds (distance) C4'-P energy: -174.642
bonds (distance) P-C4' energy: -175.231
flat angles C4'-P-C4' energy: -201.033
flat angles P-C4'-P energy: -127.723
tors. eta vs tors. theta energy: -247.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -2743.942653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2743.942653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2743.942653 (E_RNA)
where:
Base-Base interactions energy: -1881.021
where: short stacking energy: -766.709
Base-Backbone interact. energy: -3.136
local terms energy: -859.785279
where:
bonds (distance) C4'-P energy: -164.624
bonds (distance) P-C4' energy: -162.646
flat angles C4'-P-C4' energy: -195.668
flat angles P-C4'-P energy: -106.785
tors. eta vs tors. theta energy: -230.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -2565.925924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2565.925924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2565.925924 (E_RNA)
where:
Base-Base interactions energy: -1721.177
where: short stacking energy: -710.411
Base-Backbone interact. energy: -1.520
local terms energy: -843.228851
where:
bonds (distance) C4'-P energy: -171.084
bonds (distance) P-C4' energy: -170.867
flat angles C4'-P-C4' energy: -178.082
flat angles P-C4'-P energy: -112.744
tors. eta vs tors. theta energy: -210.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -2362.541760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2362.541760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.541760 (E_RNA)
where:
Base-Base interactions energy: -1536.916
where: short stacking energy: -678.979
Base-Backbone interact. energy: -2.567
local terms energy: -823.058652
where:
bonds (distance) C4'-P energy: -158.083
bonds (distance) P-C4' energy: -161.413
flat angles C4'-P-C4' energy: -184.839
flat angles P-C4'-P energy: -123.304
tors. eta vs tors. theta energy: -195.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -2060.232826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.232826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.232826 (E_RNA)
where:
Base-Base interactions energy: -1314.336
where: short stacking energy: -553.938
Base-Backbone interact. energy: -1.799
local terms energy: -744.097674
where:
bonds (distance) C4'-P energy: -141.362
bonds (distance) P-C4' energy: -184.957
flat angles C4'-P-C4' energy: -175.183
flat angles P-C4'-P energy: -111.933
tors. eta vs tors. theta energy: -130.663
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: 5
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -1579.226356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.226356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.226356 (E_RNA)
where:
Base-Base interactions energy: -954.967
where: short stacking energy: -448.637
Base-Backbone interact. energy: -2.605
local terms energy: -621.654397
where:
bonds (distance) C4'-P energy: -132.927
bonds (distance) P-C4' energy: -163.077
flat angles C4'-P-C4' energy: -147.223
flat angles P-C4'-P energy: -90.300
tors. eta vs tors. theta energy: -88.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -1342.355370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.355370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.355370 (E_RNA)
where:
Base-Base interactions energy: -739.845
where: short stacking energy: -373.073
Base-Backbone interact. energy: -0.043
local terms energy: -602.467581
where:
bonds (distance) C4'-P energy: -170.327
bonds (distance) P-C4' energy: -164.882
flat angles C4'-P-C4' energy: -151.839
flat angles P-C4'-P energy: -82.844
tors. eta vs tors. theta energy: -32.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -1018.865431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.865431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.865431 (E_RNA)
where:
Base-Base interactions energy: -494.964
where: short stacking energy: -276.502
Base-Backbone interact. energy: -1.355
local terms energy: -522.546621
where:
bonds (distance) C4'-P energy: -129.294
bonds (distance) P-C4' energy: -178.538
flat angles C4'-P-C4' energy: -119.772
flat angles P-C4'-P energy: -79.617
tors. eta vs tors. theta energy: -15.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -791.223972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.223972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.223972 (E_RNA)
where:
Base-Base interactions energy: -345.573
where: short stacking energy: -208.491
Base-Backbone interact. energy: 7.000
local terms energy: -452.651439
where:
bonds (distance) C4'-P energy: -142.293
bonds (distance) P-C4' energy: -146.134
flat angles C4'-P-C4' energy: -120.990
flat angles P-C4'-P energy: -61.672
tors. eta vs tors. theta energy: 18.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -3032.803949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3032.803949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3032.803949 (E_RNA)
where:
Base-Base interactions energy: -2045.353
where: short stacking energy: -887.745
Base-Backbone interact. energy: -4.766
local terms energy: -982.684865
where:
bonds (distance) C4'-P energy: -174.159
bonds (distance) P-C4' energy: -184.224
flat angles C4'-P-C4' energy: -206.618
flat angles P-C4'-P energy: -141.756
tors. eta vs tors. theta energy: -275.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -2920.260643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2920.260643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2920.260643 (E_RNA)
where:
Base-Base interactions energy: -2001.137
where: short stacking energy: -848.199
Base-Backbone interact. energy: -4.688
local terms energy: -914.435561
where:
bonds (distance) C4'-P energy: -178.059
bonds (distance) P-C4' energy: -160.989
flat angles C4'-P-C4' energy: -179.513
flat angles P-C4'-P energy: -139.666
tors. eta vs tors. theta energy: -256.208
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: 6
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -2730.792065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2730.792065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2730.792065 (E_RNA)
where:
Base-Base interactions energy: -1854.187
where: short stacking energy: -740.698
Base-Backbone interact. energy: -0.539
local terms energy: -876.065524
where:
bonds (distance) C4'-P energy: -169.310
bonds (distance) P-C4' energy: -191.538
flat angles C4'-P-C4' energy: -185.112
flat angles P-C4'-P energy: -122.204
tors. eta vs tors. theta energy: -207.901
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: 3
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -2623.117453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2623.117453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2623.117453 (E_RNA)
where:
Base-Base interactions energy: -1808.848
where: short stacking energy: -761.167
Base-Backbone interact. energy: -0.347
local terms energy: -813.923139
where:
bonds (distance) C4'-P energy: -147.708
bonds (distance) P-C4' energy: -167.750
flat angles C4'-P-C4' energy: -184.999
flat angles P-C4'-P energy: -107.993
tors. eta vs tors. theta energy: -205.473
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: 345
Temperature: 1.100000
Total energy: -2316.387915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.387915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2316.387915 (E_RNA)
where:
Base-Base interactions energy: -1536.156
where: short stacking energy: -658.755
Base-Backbone interact. energy: 0.041
local terms energy: -780.272234
where:
bonds (distance) C4'-P energy: -149.353
bonds (distance) P-C4' energy: -160.328
flat angles C4'-P-C4' energy: -163.429
flat angles P-C4'-P energy: -116.331
tors. eta vs tors. theta energy: -190.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -1994.791378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1994.791378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.791378 (E_RNA)
where:
Base-Base interactions energy: -1279.844
where: short stacking energy: -559.331
Base-Backbone interact. energy: -2.898
local terms energy: -712.049397
where:
bonds (distance) C4'-P energy: -149.924
bonds (distance) P-C4' energy: -155.765
flat angles C4'-P-C4' energy: -146.097
flat angles P-C4'-P energy: -109.226
tors. eta vs tors. theta energy: -151.037
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: 7, replica: 5
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -1524.570483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1524.570483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1524.570483 (E_RNA)
where:
Base-Base interactions energy: -862.402
where: short stacking energy: -430.787
Base-Backbone interact. energy: 0.454
local terms energy: -662.622316
where:
bonds (distance) C4'-P energy: -171.107
bonds (distance) P-C4' energy: -145.712
flat angles C4'-P-C4' energy: -167.254
flat angles P-C4'-P energy: -96.169
tors. eta vs tors. theta energy: -82.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -1382.198104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.198104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.198104 (E_RNA)
where:
Base-Base interactions energy: -785.579
where: short stacking energy: -375.992
Base-Backbone interact. energy: 1.688
local terms energy: -598.307612
where:
bonds (distance) C4'-P energy: -151.884
bonds (distance) P-C4' energy: -163.513
flat angles C4'-P-C4' energy: -130.699
flat angles P-C4'-P energy: -89.945
tors. eta vs tors. theta energy: -62.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -1083.855170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.855170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.855170 (E_RNA)
where:
Base-Base interactions energy: -536.827
where: short stacking energy: -297.163
Base-Backbone interact. energy: 4.580
local terms energy: -551.608747
where:
bonds (distance) C4'-P energy: -148.471
bonds (distance) P-C4' energy: -147.127
flat angles C4'-P-C4' energy: -149.213
flat angles P-C4'-P energy: -85.553
tors. eta vs tors. theta energy: -21.244
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: 4
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -832.746155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.746155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.746155 (E_RNA)
where:
Base-Base interactions energy: -345.161
where: short stacking energy: -246.258
Base-Backbone interact. energy: 2.951
local terms energy: -490.536154
where:
bonds (distance) C4'-P energy: -131.164
bonds (distance) P-C4' energy: -162.095
flat angles C4'-P-C4' energy: -137.253
flat angles P-C4'-P energy: -60.725
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: 346
Temperature: 0.900000
Total energy: -3021.422752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3021.422752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3021.422752 (E_RNA)
where:
Base-Base interactions energy: -2080.199
where: short stacking energy: -872.101
Base-Backbone interact. energy: -4.261
local terms energy: -936.962883
where:
bonds (distance) C4'-P energy: -156.641
bonds (distance) P-C4' energy: -170.710
flat angles C4'-P-C4' energy: -210.160
flat angles P-C4'-P energy: -138.219
tors. eta vs tors. theta energy: -261.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -2956.997430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2956.997430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2956.997430 (E_RNA)
where:
Base-Base interactions energy: -2016.368
where: short stacking energy: -850.782
Base-Backbone interact. energy: -1.964
local terms energy: -938.665677
where:
bonds (distance) C4'-P energy: -171.660
bonds (distance) P-C4' energy: -169.463
flat angles C4'-P-C4' energy: -198.949
flat angles P-C4'-P energy: -140.785
tors. eta vs tors. theta energy: -257.809
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: 6
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -2658.072017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2658.072017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2658.072017 (E_RNA)
where:
Base-Base interactions energy: -1801.723
where: short stacking energy: -742.226
Base-Backbone interact. energy: 2.743
local terms energy: -859.092068
where:
bonds (distance) C4'-P energy: -177.395
bonds (distance) P-C4' energy: -158.234
flat angles C4'-P-C4' energy: -185.592
flat angles P-C4'-P energy: -126.583
tors. eta vs tors. theta energy: -211.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -2595.968166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2595.968166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2595.968166 (E_RNA)
where:
Base-Base interactions energy: -1776.701
where: short stacking energy: -738.277
Base-Backbone interact. energy: -5.568
local terms energy: -813.699240
where:
bonds (distance) C4'-P energy: -151.930
bonds (distance) P-C4' energy: -158.476
flat angles C4'-P-C4' energy: -173.681
flat angles P-C4'-P energy: -118.078
tors. eta vs tors. theta energy: -211.533
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: 5, replica: 1
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -2328.985244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2328.985244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2328.985244 (E_RNA)
where:
Base-Base interactions energy: -1544.475
where: short stacking energy: -631.968
Base-Backbone interact. energy: -3.873
local terms energy: -780.636623
where:
bonds (distance) C4'-P energy: -177.558
bonds (distance) P-C4' energy: -156.098
flat angles C4'-P-C4' energy: -166.965
flat angles P-C4'-P energy: -119.694
tors. eta vs tors. theta energy: -160.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -2011.605943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.605943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.605943 (E_RNA)
where:
Base-Base interactions energy: -1281.503
where: short stacking energy: -571.523
Base-Backbone interact. energy: -3.003
local terms energy: -727.100887
where:
bonds (distance) C4'-P energy: -149.637
bonds (distance) P-C4' energy: -157.266
flat angles C4'-P-C4' energy: -175.329
flat angles P-C4'-P energy: -85.770
tors. eta vs tors. theta energy: -159.100
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: 7, replica: 5
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -1522.664021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.664021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.664021 (E_RNA)
where:
Base-Base interactions energy: -886.763
where: short stacking energy: -443.144
Base-Backbone interact. energy: -4.276
local terms energy: -631.624799
where:
bonds (distance) C4'-P energy: -152.951
bonds (distance) P-C4' energy: -162.576
flat angles C4'-P-C4' energy: -141.813
flat angles P-C4'-P energy: -106.256
tors. eta vs tors. theta energy: -68.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -1327.111667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.111667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.111667 (E_RNA)
where:
Base-Base interactions energy: -790.633
where: short stacking energy: -385.902
Base-Backbone interact. energy: -1.595
local terms energy: -534.883234
where:
bonds (distance) C4'-P energy: -106.314
bonds (distance) P-C4' energy: -165.250
flat angles C4'-P-C4' energy: -120.062
flat angles P-C4'-P energy: -103.574
tors. eta vs tors. theta energy: -39.683
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: 2
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -1072.194994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.194994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.194994 (E_RNA)
where:
Base-Base interactions energy: -592.804
where: short stacking energy: -311.581
Base-Backbone interact. energy: 2.373
local terms energy: -481.763562
where:
bonds (distance) C4'-P energy: -131.090
bonds (distance) P-C4' energy: -144.708
flat angles C4'-P-C4' energy: -131.183
flat angles P-C4'-P energy: -58.234
tors. eta vs tors. theta energy: -16.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -804.657821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.657821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.657821 (E_RNA)
where:
Base-Base interactions energy: -357.373
where: short stacking energy: -238.659
Base-Backbone interact. energy: -1.439
local terms energy: -445.845047
where:
bonds (distance) C4'-P energy: -129.297
bonds (distance) P-C4' energy: -148.344
flat angles C4'-P-C4' energy: -106.100
flat angles P-C4'-P energy: -83.094
tors. eta vs tors. theta energy: 20.990
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: 7
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -2994.996948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2994.996948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2994.996948 (E_RNA)
where:
Base-Base interactions energy: -2034.546
where: short stacking energy: -871.730
Base-Backbone interact. energy: -0.540
local terms energy: -959.911805
where:
bonds (distance) C4'-P energy: -183.393
bonds (distance) P-C4' energy: -175.203
flat angles C4'-P-C4' energy: -201.263
flat angles P-C4'-P energy: -138.312
tors. eta vs tors. theta energy: -261.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -2919.778783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2919.778783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2919.778783 (E_RNA)
where:
Base-Base interactions energy: -2004.638
where: short stacking energy: -820.206
Base-Backbone interact. energy: -6.910
local terms energy: -908.230878
where:
bonds (distance) C4'-P energy: -162.849
bonds (distance) P-C4' energy: -185.850
flat angles C4'-P-C4' energy: -181.176
flat angles P-C4'-P energy: -122.044
tors. eta vs tors. theta energy: -256.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -2720.190479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2720.190479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2720.190479 (E_RNA)
where:
Base-Base interactions energy: -1838.082
where: short stacking energy: -785.724
Base-Backbone interact. energy: -0.826
local terms energy: -881.282473
where:
bonds (distance) C4'-P energy: -157.092
bonds (distance) P-C4' energy: -176.269
flat angles C4'-P-C4' energy: -205.952
flat angles P-C4'-P energy: -123.009
tors. eta vs tors. theta energy: -218.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -2635.548310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2635.548310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2635.548310 (E_RNA)
where:
Base-Base interactions energy: -1799.556
where: short stacking energy: -737.326
Base-Backbone interact. energy: 2.336
local terms energy: -838.327914
where:
bonds (distance) C4'-P energy: -163.664
bonds (distance) P-C4' energy: -172.820
flat angles C4'-P-C4' energy: -195.187
flat angles P-C4'-P energy: -101.694
tors. eta vs tors. theta energy: -204.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -2291.090418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2291.090418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.090418 (E_RNA)
where:
Base-Base interactions energy: -1507.181
where: short stacking energy: -656.054
Base-Backbone interact. energy: 2.139
local terms energy: -786.048352
where:
bonds (distance) C4'-P energy: -159.750
bonds (distance) P-C4' energy: -178.640
flat angles C4'-P-C4' energy: -169.076
flat angles P-C4'-P energy: -111.692
tors. eta vs tors. theta energy: -166.890
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: 9
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -1970.299387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.299387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.299387 (E_RNA)
where:
Base-Base interactions energy: -1243.314
where: short stacking energy: -553.457
Base-Backbone interact. energy: 0.736
local terms energy: -727.721390
where:
bonds (distance) C4'-P energy: -159.780
bonds (distance) P-C4' energy: -168.156
flat angles C4'-P-C4' energy: -152.049
flat angles P-C4'-P energy: -115.744
tors. eta vs tors. theta energy: -131.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -1436.307222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.307222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1436.307222 (E_RNA)
where:
Base-Base interactions energy: -800.338
where: short stacking energy: -401.674
Base-Backbone interact. energy: -0.182
local terms energy: -635.787057
where:
bonds (distance) C4'-P energy: -162.378
bonds (distance) P-C4' energy: -157.681
flat angles C4'-P-C4' energy: -148.253
flat angles P-C4'-P energy: -104.418
tors. eta vs tors. theta energy: -63.057
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: 8
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -1363.329464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.329464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.329464 (E_RNA)
where:
Base-Base interactions energy: -772.093
where: short stacking energy: -400.839
Base-Backbone interact. energy: 1.093
local terms energy: -592.328882
where:
bonds (distance) C4'-P energy: -153.396
bonds (distance) P-C4' energy: -142.115
flat angles C4'-P-C4' energy: -136.467
flat angles P-C4'-P energy: -96.647
tors. eta vs tors. theta energy: -63.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -1079.921360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.921360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.921360 (E_RNA)
where:
Base-Base interactions energy: -568.892
where: short stacking energy: -277.209
Base-Backbone interact. energy: -4.035
local terms energy: -506.994258
where:
bonds (distance) C4'-P energy: -137.008
bonds (distance) P-C4' energy: -132.647
flat angles C4'-P-C4' energy: -141.244
flat angles P-C4'-P energy: -75.726
tors. eta vs tors. theta energy: -20.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -789.320558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.320558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.320558 (E_RNA)
where:
Base-Base interactions energy: -363.057
where: short stacking energy: -209.538
Base-Backbone interact. energy: 1.297
local terms energy: -427.560198
where:
bonds (distance) C4'-P energy: -128.420
bonds (distance) P-C4' energy: -143.965
flat angles C4'-P-C4' energy: -117.624
flat angles P-C4'-P energy: -73.404
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: 1, replica: 7
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -3010.608605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3010.608605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3010.608605 (E_RNA)
where:
Base-Base interactions energy: -2038.590
where: short stacking energy: -865.677
Base-Backbone interact. energy: -3.522
local terms energy: -968.497069
where:
bonds (distance) C4'-P energy: -162.385
bonds (distance) P-C4' energy: -184.711
flat angles C4'-P-C4' energy: -207.604
flat angles P-C4'-P energy: -142.456
tors. eta vs tors. theta energy: -271.342
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: 2, replica: 10
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -2926.895062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2926.895062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2926.895062 (E_RNA)
where:
Base-Base interactions energy: -1997.847
where: short stacking energy: -801.610
Base-Backbone interact. energy: -4.291
local terms energy: -924.757053
where:
bonds (distance) C4'-P energy: -166.968
bonds (distance) P-C4' energy: -176.895
flat angles C4'-P-C4' energy: -194.945
flat angles P-C4'-P energy: -132.708
tors. eta vs tors. theta energy: -253.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -2721.959537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2721.959537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2721.959537 (E_RNA)
where:
Base-Base interactions energy: -1834.760
where: short stacking energy: -788.624
Base-Backbone interact. energy: -0.270
local terms energy: -886.929929
where:
bonds (distance) C4'-P energy: -163.338
bonds (distance) P-C4' energy: -167.652
flat angles C4'-P-C4' energy: -195.466
flat angles P-C4'-P energy: -119.539
tors. eta vs tors. theta energy: -240.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -2654.605437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2654.605437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2654.605437 (E_RNA)
where:
Base-Base interactions energy: -1792.458
where: short stacking energy: -753.961
Base-Backbone interact. energy: 1.679
local terms energy: -863.825889
where:
bonds (distance) C4'-P energy: -159.676
bonds (distance) P-C4' energy: -176.832
flat angles C4'-P-C4' energy: -188.355
flat angles P-C4'-P energy: -124.776
tors. eta vs tors. theta energy: -214.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -2288.851751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2288.851751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2288.851751 (E_RNA)
where:
Base-Base interactions energy: -1499.005
where: short stacking energy: -620.132
Base-Backbone interact. energy: 0.588
local terms energy: -790.434071
where:
bonds (distance) C4'-P energy: -156.289
bonds (distance) P-C4' energy: -166.576
flat angles C4'-P-C4' energy: -179.606
flat angles P-C4'-P energy: -110.417
tors. eta vs tors. theta energy: -177.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -2001.184949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.184949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.184949 (E_RNA)
where:
Base-Base interactions energy: -1288.766
where: short stacking energy: -601.101
Base-Backbone interact. energy: -3.379
local terms energy: -709.040048
where:
bonds (distance) C4'-P energy: -160.505
bonds (distance) P-C4' energy: -148.397
flat angles C4'-P-C4' energy: -164.485
flat angles P-C4'-P energy: -88.093
tors. eta vs tors. theta energy: -147.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -1463.548529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.548529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.548529 (E_RNA)
where:
Base-Base interactions energy: -860.072
where: short stacking energy: -392.918
Base-Backbone interact. energy: -0.592
local terms energy: -602.884845
where:
bonds (distance) C4'-P energy: -161.689
bonds (distance) P-C4' energy: -156.374
flat angles C4'-P-C4' energy: -147.596
flat angles P-C4'-P energy: -91.459
tors. eta vs tors. theta energy: -45.767
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: 8
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -1292.210396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.210396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.210396 (E_RNA)
where:
Base-Base interactions energy: -717.338
where: short stacking energy: -345.348
Base-Backbone interact. energy: -2.487
local terms energy: -572.385070
where:
bonds (distance) C4'-P energy: -130.851
bonds (distance) P-C4' energy: -148.892
flat angles C4'-P-C4' energy: -152.051
flat angles P-C4'-P energy: -91.343
tors. eta vs tors. theta energy: -49.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -1064.245501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.245501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.245501 (E_RNA)
where:
Base-Base interactions energy: -593.485
where: short stacking energy: -305.111
Base-Backbone interact. energy: 2.027
local terms energy: -472.863280
where:
bonds (distance) C4'-P energy: -134.494
bonds (distance) P-C4' energy: -139.699
flat angles C4'-P-C4' energy: -126.849
flat angles P-C4'-P energy: -56.845
tors. eta vs tors. theta energy: -14.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.076 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -764.079883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.079883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.079883 (E_RNA)
where:
Base-Base interactions energy: -336.700
where: short stacking energy: -223.690
Base-Backbone interact. energy: -1.668
local terms energy: -425.712143
where:
bonds (distance) C4'-P energy: -140.240
bonds (distance) P-C4' energy: -117.946
flat angles C4'-P-C4' energy: -115.021
flat angles P-C4'-P energy: -93.816
tors. eta vs tors. theta energy: 41.311
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: 1, replica: 7
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -3009.499931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3009.499931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3009.499931 (E_RNA)
where:
Base-Base interactions energy: -2032.648
where: short stacking energy: -869.664
Base-Backbone interact. energy: -2.363
local terms energy: -974.489285
where:
bonds (distance) C4'-P energy: -174.670
bonds (distance) P-C4' energy: -181.875
flat angles C4'-P-C4' energy: -208.326
flat angles P-C4'-P energy: -129.017
tors. eta vs tors. theta energy: -280.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -2925.877024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2925.877024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2925.877024 (E_RNA)
where:
Base-Base interactions energy: -2011.228
where: short stacking energy: -823.499
Base-Backbone interact. energy: -5.914
local terms energy: -908.734460
where:
bonds (distance) C4'-P energy: -178.227
bonds (distance) P-C4' energy: -162.296
flat angles C4'-P-C4' energy: -191.894
flat angles P-C4'-P energy: -125.488
tors. eta vs tors. theta energy: -250.829
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: 6
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -2730.285204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2730.285204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2730.285204 (E_RNA)
where:
Base-Base interactions energy: -1840.824
where: short stacking energy: -802.211
Base-Backbone interact. energy: 2.804
local terms energy: -892.265016
where:
bonds (distance) C4'-P energy: -169.330
bonds (distance) P-C4' energy: -172.513
flat angles C4'-P-C4' energy: -183.197
flat angles P-C4'-P energy: -130.563
tors. eta vs tors. theta energy: -236.662
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: 3
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -2646.907755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2646.907755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2646.907755 (E_RNA)
where:
Base-Base interactions energy: -1802.044
where: short stacking energy: -745.512
Base-Backbone interact. energy: -4.271
local terms energy: -840.592595
where:
bonds (distance) C4'-P energy: -161.010
bonds (distance) P-C4' energy: -167.359
flat angles C4'-P-C4' energy: -170.229
flat angles P-C4'-P energy: -119.316
tors. eta vs tors. theta energy: -222.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -2279.192952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.192952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.192952 (E_RNA)
where:
Base-Base interactions energy: -1521.424
where: short stacking energy: -660.476
Base-Backbone interact. energy: -2.734
local terms energy: -755.035444
where:
bonds (distance) C4'-P energy: -147.239
bonds (distance) P-C4' energy: -166.930
flat angles C4'-P-C4' energy: -160.628
flat angles P-C4'-P energy: -99.545
tors. eta vs tors. theta energy: -180.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -1991.727428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.727428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.727428 (E_RNA)
where:
Base-Base interactions energy: -1304.854
where: short stacking energy: -558.499
Base-Backbone interact. energy: 0.334
local terms energy: -687.206716
where:
bonds (distance) C4'-P energy: -152.026
bonds (distance) P-C4' energy: -168.776
flat angles C4'-P-C4' energy: -140.438
flat angles P-C4'-P energy: -96.918
tors. eta vs tors. theta energy: -129.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -1502.776609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.776609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1502.776609 (E_RNA)
where:
Base-Base interactions energy: -870.189
where: short stacking energy: -466.010
Base-Backbone interact. energy: -1.703
local terms energy: -630.885474
where:
bonds (distance) C4'-P energy: -155.916
bonds (distance) P-C4' energy: -135.781
flat angles C4'-P-C4' energy: -162.762
flat angles P-C4'-P energy: -94.461
tors. eta vs tors. theta energy: -81.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -1275.071809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.071809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.071809 (E_RNA)
where:
Base-Base interactions energy: -734.784
where: short stacking energy: -380.812
Base-Backbone interact. energy: 6.201
local terms energy: -546.488686
where:
bonds (distance) C4'-P energy: -146.192
bonds (distance) P-C4' energy: -142.624
flat angles C4'-P-C4' energy: -143.395
flat angles P-C4'-P energy: -70.274
tors. eta vs tors. theta energy: -44.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -1058.051302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.051302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.051302 (E_RNA)
where:
Base-Base interactions energy: -541.830
where: short stacking energy: -300.334
Base-Backbone interact. energy: -3.032
local terms energy: -513.189189
where:
bonds (distance) C4'-P energy: -146.535
bonds (distance) P-C4' energy: -156.434
flat angles C4'-P-C4' energy: -147.657
flat angles P-C4'-P energy: -60.257
tors. eta vs tors. theta energy: -2.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -806.473262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.473262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.473262 (E_RNA)
where:
Base-Base interactions energy: -360.058
where: short stacking energy: -245.209
Base-Backbone interact. energy: 2.854
local terms energy: -449.269147
where:
bonds (distance) C4'-P energy: -112.385
bonds (distance) P-C4' energy: -151.907
flat angles C4'-P-C4' energy: -138.053
flat angles P-C4'-P energy: -46.785
tors. eta vs tors. theta energy: -0.140
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: 7
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -2977.549323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2977.549323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2977.549323 (E_RNA)
where:
Base-Base interactions energy: -2044.880
where: short stacking energy: -865.400
Base-Backbone interact. energy: -2.824
local terms energy: -929.845332
where:
bonds (distance) C4'-P energy: -149.528
bonds (distance) P-C4' energy: -184.702
flat angles C4'-P-C4' energy: -193.103
flat angles P-C4'-P energy: -126.011
tors. eta vs tors. theta energy: -276.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -2931.966053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2931.966053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2931.966053 (E_RNA)
where:
Base-Base interactions energy: -1997.428
where: short stacking energy: -815.397
Base-Backbone interact. energy: -1.196
local terms energy: -933.342598
where:
bonds (distance) C4'-P energy: -162.946
bonds (distance) P-C4' energy: -191.610
flat angles C4'-P-C4' energy: -201.239
flat angles P-C4'-P energy: -127.616
tors. eta vs tors. theta energy: -249.932
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: 3
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -2709.505225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2709.505225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2709.505225 (E_RNA)
where:
Base-Base interactions energy: -1851.629
where: short stacking energy: -775.016
Base-Backbone interact. energy: -3.252
local terms energy: -854.624061
where:
bonds (distance) C4'-P energy: -164.439
bonds (distance) P-C4' energy: -180.869
flat angles C4'-P-C4' energy: -188.871
flat angles P-C4'-P energy: -101.429
tors. eta vs tors. theta energy: -219.016
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: 4, replica: 6
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -2638.923299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2638.923299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2638.923299 (E_RNA)
where:
Base-Base interactions energy: -1812.464
where: short stacking energy: -791.431
Base-Backbone interact. energy: -2.375
local terms energy: -824.083838
where:
bonds (distance) C4'-P energy: -147.796
bonds (distance) P-C4' energy: -147.773
flat angles C4'-P-C4' energy: -186.062
flat angles P-C4'-P energy: -111.609
tors. eta vs tors. theta energy: -230.843
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: 1
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -2341.174052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2341.174052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.174052 (E_RNA)
where:
Base-Base interactions energy: -1587.153
where: short stacking energy: -648.950
Base-Backbone interact. energy: -1.030
local terms energy: -752.991284
where:
bonds (distance) C4'-P energy: -150.327
bonds (distance) P-C4' energy: -149.565
flat angles C4'-P-C4' energy: -185.128
flat angles P-C4'-P energy: -99.558
tors. eta vs tors. theta energy: -168.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -1966.188673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.188673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.188673 (E_RNA)
where:
Base-Base interactions energy: -1285.617
where: short stacking energy: -560.827
Base-Backbone interact. energy: -3.875
local terms energy: -676.696428
where:
bonds (distance) C4'-P energy: -129.096
bonds (distance) P-C4' energy: -170.981
flat angles C4'-P-C4' energy: -156.678
flat angles P-C4'-P energy: -96.187
tors. eta vs tors. theta energy: -123.754
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: 7, replica: 5
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -1499.935404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.935404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1499.935404 (E_RNA)
where:
Base-Base interactions energy: -878.689
where: short stacking energy: -435.539
Base-Backbone interact. energy: 1.123
local terms energy: -622.369367
where:
bonds (distance) C4'-P energy: -159.168
bonds (distance) P-C4' energy: -157.474
flat angles C4'-P-C4' energy: -140.695
flat angles P-C4'-P energy: -91.349
tors. eta vs tors. theta energy: -73.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -1337.459344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.459344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.459344 (E_RNA)
where:
Base-Base interactions energy: -752.587
where: short stacking energy: -371.627
Base-Backbone interact. energy: 3.109
local terms energy: -587.980741
where:
bonds (distance) C4'-P energy: -149.130
bonds (distance) P-C4' energy: -160.763
flat angles C4'-P-C4' energy: -160.488
flat angles P-C4'-P energy: -60.993
tors. eta vs tors. theta energy: -56.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -1029.045243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.045243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.045243 (E_RNA)
where:
Base-Base interactions energy: -536.297
where: short stacking energy: -300.781
Base-Backbone interact. energy: 5.830
local terms energy: -498.578218
where:
bonds (distance) C4'-P energy: -133.188
bonds (distance) P-C4' energy: -154.400
flat angles C4'-P-C4' energy: -120.385
flat angles P-C4'-P energy: -87.032
tors. eta vs tors. theta energy: -3.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -824.114891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.114891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.114891 (E_RNA)
where:
Base-Base interactions energy: -382.417
where: short stacking energy: -221.044
Base-Backbone interact. energy: 2.072
local terms energy: -443.770424
where:
bonds (distance) C4'-P energy: -124.507
bonds (distance) P-C4' energy: -154.614
flat angles C4'-P-C4' energy: -113.771
flat angles P-C4'-P energy: -76.454
tors. eta vs tors. theta energy: 25.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -2965.581320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2965.581320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2965.581320 (E_RNA)
where:
Base-Base interactions energy: -2016.441
where: short stacking energy: -850.273
Base-Backbone interact. energy: 4.486
local terms energy: -953.627233
where:
bonds (distance) C4'-P energy: -170.503
bonds (distance) P-C4' energy: -168.040
flat angles C4'-P-C4' energy: -208.672
flat angles P-C4'-P energy: -141.458
tors. eta vs tors. theta energy: -264.955
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: 10
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -2953.581263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2953.581263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2953.581263 (E_RNA)
where:
Base-Base interactions energy: -1994.042
where: short stacking energy: -840.076
Base-Backbone interact. energy: -2.847
local terms energy: -956.692543
where:
bonds (distance) C4'-P energy: -174.236
bonds (distance) P-C4' energy: -183.263
flat angles C4'-P-C4' energy: -207.393
flat angles P-C4'-P energy: -124.020
tors. eta vs tors. theta energy: -267.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -2727.534935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2727.534935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2727.534935 (E_RNA)
where:
Base-Base interactions energy: -1849.864
where: short stacking energy: -768.683
Base-Backbone interact. energy: -3.665
local terms energy: -874.005845
where:
bonds (distance) C4'-P energy: -156.220
bonds (distance) P-C4' energy: -188.145
flat angles C4'-P-C4' energy: -178.963
flat angles P-C4'-P energy: -120.982
tors. eta vs tors. theta energy: -229.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -2581.279826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2581.279826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2581.279826 (E_RNA)
where:
Base-Base interactions energy: -1765.015
where: short stacking energy: -730.118
Base-Backbone interact. energy: 8.268
local terms energy: -824.532377
where:
bonds (distance) C4'-P energy: -164.328
bonds (distance) P-C4' energy: -167.549
flat angles C4'-P-C4' energy: -177.440
flat angles P-C4'-P energy: -104.927
tors. eta vs tors. theta energy: -210.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -2351.408612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2351.408612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2351.408612 (E_RNA)
where:
Base-Base interactions energy: -1564.411
where: short stacking energy: -665.426
Base-Backbone interact. energy: -5.809
local terms energy: -781.188404
where:
bonds (distance) C4'-P energy: -157.329
bonds (distance) P-C4' energy: -141.161
flat angles C4'-P-C4' energy: -170.613
flat angles P-C4'-P energy: -119.730
tors. eta vs tors. theta energy: -192.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -1954.838719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.838719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.838719 (E_RNA)
where:
Base-Base interactions energy: -1263.317
where: short stacking energy: -538.501
Base-Backbone interact. energy: -2.166
local terms energy: -689.356182
where:
bonds (distance) C4'-P energy: -144.968
bonds (distance) P-C4' energy: -171.254
flat angles C4'-P-C4' energy: -151.877
flat angles P-C4'-P energy: -99.070
tors. eta vs tors. theta energy: -122.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -1454.761115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.761115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1454.761115 (E_RNA)
where:
Base-Base interactions energy: -820.862
where: short stacking energy: -413.972
Base-Backbone interact. energy: 2.775
local terms energy: -636.674654
where:
bonds (distance) C4'-P energy: -155.264
bonds (distance) P-C4' energy: -164.087
flat angles C4'-P-C4' energy: -157.177
flat angles P-C4'-P energy: -86.737
tors. eta vs tors. theta energy: -73.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -1295.926046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.926046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.926046 (E_RNA)
where:
Base-Base interactions energy: -714.460
where: short stacking energy: -399.586
Base-Backbone interact. energy: 5.720
local terms energy: -587.186720
where:
bonds (distance) C4'-P energy: -123.524
bonds (distance) P-C4' energy: -165.810
flat angles C4'-P-C4' energy: -136.651
flat angles P-C4'-P energy: -100.022
tors. eta vs tors. theta energy: -61.181
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: 2
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -998.164938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.164938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.164938 (E_RNA)
where:
Base-Base interactions energy: -500.987
where: short stacking energy: -291.590
Base-Backbone interact. energy: -2.417
local terms energy: -494.760523
where:
bonds (distance) C4'-P energy: -137.597
bonds (distance) P-C4' energy: -139.172
flat angles C4'-P-C4' energy: -126.327
flat angles P-C4'-P energy: -81.350
tors. eta vs tors. theta energy: -10.314
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: 4
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -809.341359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.341359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.341359 (E_RNA)
where:
Base-Base interactions energy: -375.215
where: short stacking energy: -245.793
Base-Backbone interact. energy: 0.848
local terms energy: -434.974475
where:
bonds (distance) C4'-P energy: -134.952
bonds (distance) P-C4' energy: -151.900
flat angles C4'-P-C4' energy: -86.565
flat angles P-C4'-P energy: -67.987
tors. eta vs tors. theta energy: 6.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -3000.016347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3000.016347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3000.016347 (E_RNA)
where:
Base-Base interactions energy: -2051.041
where: short stacking energy: -881.718
Base-Backbone interact. energy: -3.756
local terms energy: -945.219771
where:
bonds (distance) C4'-P energy: -164.697
bonds (distance) P-C4' energy: -181.503
flat angles C4'-P-C4' energy: -195.446
flat angles P-C4'-P energy: -139.685
tors. eta vs tors. theta energy: -263.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -2934.333928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2934.333928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2934.333928 (E_RNA)
where:
Base-Base interactions energy: -1997.342
where: short stacking energy: -807.998
Base-Backbone interact. energy: -2.574
local terms energy: -934.417946
where:
bonds (distance) C4'-P energy: -178.395
bonds (distance) P-C4' energy: -177.349
flat angles C4'-P-C4' energy: -202.811
flat angles P-C4'-P energy: -128.915
tors. eta vs tors. theta energy: -246.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -2737.708157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2737.708157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2737.708157 (E_RNA)
where:
Base-Base interactions energy: -1891.744
where: short stacking energy: -771.626
Base-Backbone interact. energy: -1.135
local terms energy: -844.829182
where:
bonds (distance) C4'-P energy: -140.286
bonds (distance) P-C4' energy: -169.463
flat angles C4'-P-C4' energy: -175.364
flat angles P-C4'-P energy: -133.441
tors. eta vs tors. theta energy: -226.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -2599.317943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2599.317943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2599.317943 (E_RNA)
where:
Base-Base interactions energy: -1751.260
where: short stacking energy: -700.945
Base-Backbone interact. energy: 2.163
local terms energy: -850.221281
where:
bonds (distance) C4'-P energy: -164.365
bonds (distance) P-C4' energy: -162.514
flat angles C4'-P-C4' energy: -192.519
flat angles P-C4'-P energy: -121.991
tors. eta vs tors. theta energy: -208.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -2311.355256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2311.355256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2311.355256 (E_RNA)
where:
Base-Base interactions energy: -1527.072
where: short stacking energy: -627.386
Base-Backbone interact. energy: -0.704
local terms energy: -783.578837
where:
bonds (distance) C4'-P energy: -150.411
bonds (distance) P-C4' energy: -168.728
flat angles C4'-P-C4' energy: -169.073
flat angles P-C4'-P energy: -113.586
tors. eta vs tors. theta energy: -181.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -2002.088797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.088797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.088797 (E_RNA)
where:
Base-Base interactions energy: -1311.912
where: short stacking energy: -573.564
Base-Backbone interact. energy: -2.770
local terms energy: -687.407342
where:
bonds (distance) C4'-P energy: -136.987
bonds (distance) P-C4' energy: -145.009
flat angles C4'-P-C4' energy: -176.207
flat angles P-C4'-P energy: -104.864
tors. eta vs tors. theta energy: -124.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -1480.705884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.705884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.705884 (E_RNA)
where:
Base-Base interactions energy: -851.604
where: short stacking energy: -441.757
Base-Backbone interact. energy: -1.200
local terms energy: -627.902483
where:
bonds (distance) C4'-P energy: -152.823
bonds (distance) P-C4' energy: -146.404
flat angles C4'-P-C4' energy: -149.601
flat angles P-C4'-P energy: -88.881
tors. eta vs tors. theta energy: -90.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -1244.085487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.085487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.085487 (E_RNA)
where:
Base-Base interactions energy: -651.933
where: short stacking energy: -348.468
Base-Backbone interact. energy: -0.064
local terms energy: -592.088115
where:
bonds (distance) C4'-P energy: -153.656
bonds (distance) P-C4' energy: -164.125
flat angles C4'-P-C4' energy: -133.727
flat angles P-C4'-P energy: -97.373
tors. eta vs tors. theta energy: -43.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -854.555503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.555503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.555503 (E_RNA)
where:
Base-Base interactions energy: -355.842
where: short stacking energy: -222.987
Base-Backbone interact. energy: -5.366
local terms energy: -493.347872
where:
bonds (distance) C4'-P energy: -139.247
bonds (distance) P-C4' energy: -168.310
flat angles C4'-P-C4' energy: -136.095
flat angles P-C4'-P energy: -58.313
tors. eta vs tors. theta energy: 8.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -854.722783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.722783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.722783 (E_RNA)
where:
Base-Base interactions energy: -409.843
where: short stacking energy: -242.391
Base-Backbone interact. energy: -0.079
local terms energy: -444.801366
where:
bonds (distance) C4'-P energy: -123.644
bonds (distance) P-C4' energy: -150.331
flat angles C4'-P-C4' energy: -130.003
flat angles P-C4'-P energy: -49.853
tors. eta vs tors. theta energy: 9.029
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: 7
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -2998.188597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2998.188597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2998.188597 (E_RNA)
where:
Base-Base interactions energy: -2048.777
where: short stacking energy: -877.349
Base-Backbone interact. energy: -1.131
local terms energy: -948.280950
where:
bonds (distance) C4'-P energy: -176.056
bonds (distance) P-C4' energy: -162.004
flat angles C4'-P-C4' energy: -208.080
flat angles P-C4'-P energy: -140.087
tors. eta vs tors. theta energy: -262.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -2922.383656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2922.383656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2922.383656 (E_RNA)
where:
Base-Base interactions energy: -1970.676
where: short stacking energy: -821.626
Base-Backbone interact. energy: -7.158
local terms energy: -944.549910
where:
bonds (distance) C4'-P energy: -169.454
bonds (distance) P-C4' energy: -183.236
flat angles C4'-P-C4' energy: -195.889
flat angles P-C4'-P energy: -137.911
tors. eta vs tors. theta energy: -258.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -2756.634247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2756.634247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2756.634247 (E_RNA)
where:
Base-Base interactions energy: -1896.468
where: short stacking energy: -802.122
Base-Backbone interact. energy: -1.418
local terms energy: -858.748028
where:
bonds (distance) C4'-P energy: -164.995
bonds (distance) P-C4' energy: -163.850
flat angles C4'-P-C4' energy: -192.469
flat angles P-C4'-P energy: -107.535
tors. eta vs tors. theta energy: -229.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -2655.695678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2655.695678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2655.695678 (E_RNA)
where:
Base-Base interactions energy: -1789.632
where: short stacking energy: -756.870
Base-Backbone interact. energy: -2.622
local terms energy: -863.441530
where:
bonds (distance) C4'-P energy: -178.632
bonds (distance) P-C4' energy: -157.150
flat angles C4'-P-C4' energy: -194.224
flat angles P-C4'-P energy: -109.086
tors. eta vs tors. theta energy: -224.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -2343.753684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2343.753684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2343.753684 (E_RNA)
where:
Base-Base interactions energy: -1624.021
where: short stacking energy: -673.983
Base-Backbone interact. energy: 5.502
local terms energy: -725.234193
where:
bonds (distance) C4'-P energy: -128.503
bonds (distance) P-C4' energy: -150.727
flat angles C4'-P-C4' energy: -168.108
flat angles P-C4'-P energy: -104.879
tors. eta vs tors. theta energy: -173.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -2008.946244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.946244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.946244 (E_RNA)
where:
Base-Base interactions energy: -1322.495
where: short stacking energy: -589.056
Base-Backbone interact. energy: -1.627
local terms energy: -684.824075
where:
bonds (distance) C4'-P energy: -151.764
bonds (distance) P-C4' energy: -148.322
flat angles C4'-P-C4' energy: -150.015
flat angles P-C4'-P energy: -85.603
tors. eta vs tors. theta energy: -149.120
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: 5
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -1489.176290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.176290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.176290 (E_RNA)
where:
Base-Base interactions energy: -879.456
where: short stacking energy: -420.267
Base-Backbone interact. energy: -0.122
local terms energy: -609.598126
where:
bonds (distance) C4'-P energy: -146.271
bonds (distance) P-C4' energy: -162.040
flat angles C4'-P-C4' energy: -153.777
flat angles P-C4'-P energy: -86.341
tors. eta vs tors. theta energy: -61.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -1243.243812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.243812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.243812 (E_RNA)
where:
Base-Base interactions energy: -691.261
where: short stacking energy: -392.750
Base-Backbone interact. energy: 2.826
local terms energy: -554.809566
where:
bonds (distance) C4'-P energy: -137.340
bonds (distance) P-C4' energy: -148.264
flat angles C4'-P-C4' energy: -135.686
flat angles P-C4'-P energy: -83.005
tors. eta vs tors. theta energy: -50.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -882.888150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.888150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.888150 (E_RNA)
where:
Base-Base interactions energy: -390.917
where: short stacking energy: -239.502
Base-Backbone interact. energy: -1.955
local terms energy: -490.015297
where:
bonds (distance) C4'-P energy: -145.104
bonds (distance) P-C4' energy: -149.614
flat angles C4'-P-C4' energy: -128.200
flat angles P-C4'-P energy: -70.683
tors. eta vs tors. theta energy: 3.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -843.425120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.425120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.425120 (E_RNA)
where:
Base-Base interactions energy: -430.902
where: short stacking energy: -207.109
Base-Backbone interact. energy: -3.364
local terms energy: -409.159190
where:
bonds (distance) C4'-P energy: -118.615
bonds (distance) P-C4' energy: -150.297
flat angles C4'-P-C4' energy: -121.244
flat angles P-C4'-P energy: -65.085
tors. eta vs tors. theta energy: 46.082
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: 7
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -3011.627141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3011.627141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3011.627141 (E_RNA)
where:
Base-Base interactions energy: -2065.333
where: short stacking energy: -863.241
Base-Backbone interact. energy: -0.424
local terms energy: -945.869473
where:
bonds (distance) C4'-P energy: -172.778
bonds (distance) P-C4' energy: -183.555
flat angles C4'-P-C4' energy: -208.660
flat angles P-C4'-P energy: -127.008
tors. eta vs tors. theta energy: -253.869
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: 10
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -2908.707079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2908.707079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2908.707079 (E_RNA)
where:
Base-Base interactions energy: -1968.335
where: short stacking energy: -828.891
Base-Backbone interact. energy: -6.380
local terms energy: -933.991752
where:
bonds (distance) C4'-P energy: -168.820
bonds (distance) P-C4' energy: -184.858
flat angles C4'-P-C4' energy: -183.156
flat angles P-C4'-P energy: -134.927
tors. eta vs tors. theta energy: -262.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -2757.430092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2757.430092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2757.430092 (E_RNA)
where:
Base-Base interactions energy: -1896.901
where: short stacking energy: -785.413
Base-Backbone interact. energy: 0.443
local terms energy: -860.972232
where:
bonds (distance) C4'-P energy: -152.238
bonds (distance) P-C4' energy: -172.469
flat angles C4'-P-C4' energy: -192.019
flat angles P-C4'-P energy: -120.408
tors. eta vs tors. theta energy: -223.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -2595.966845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2595.966845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2595.966845 (E_RNA)
where:
Base-Base interactions energy: -1746.670
where: short stacking energy: -759.604
Base-Backbone interact. energy: -4.207
local terms energy: -845.089997
where:
bonds (distance) C4'-P energy: -171.488
bonds (distance) P-C4' energy: -162.307
flat angles C4'-P-C4' energy: -174.882
flat angles P-C4'-P energy: -119.691
tors. eta vs tors. theta energy: -216.721
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: 1
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -2364.179681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2364.179681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2364.179681 (E_RNA)
where:
Base-Base interactions energy: -1606.685
where: short stacking energy: -633.815
Base-Backbone interact. energy: 0.781
local terms energy: -758.274968
where:
bonds (distance) C4'-P energy: -154.612
bonds (distance) P-C4' energy: -148.024
flat angles C4'-P-C4' energy: -172.894
flat angles P-C4'-P energy: -123.163
tors. eta vs tors. theta energy: -159.582
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: 6, replica: 9
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -2009.744131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.744131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.744131 (E_RNA)
where:
Base-Base interactions energy: -1332.378
where: short stacking energy: -589.186
Base-Backbone interact. energy: -1.016
local terms energy: -676.350245
where:
bonds (distance) C4'-P energy: -144.117
bonds (distance) P-C4' energy: -150.086
flat angles C4'-P-C4' energy: -163.691
flat angles P-C4'-P energy: -94.958
tors. eta vs tors. theta energy: -123.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -1521.773340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.773340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.773340 (E_RNA)
where:
Base-Base interactions energy: -915.520
where: short stacking energy: -441.096
Base-Backbone interact. energy: -1.299
local terms energy: -604.954059
where:
bonds (distance) C4'-P energy: -149.163
bonds (distance) P-C4' energy: -152.816
flat angles C4'-P-C4' energy: -141.495
flat angles P-C4'-P energy: -86.870
tors. eta vs tors. theta energy: -74.610
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: 8, replica: 8
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -1283.677082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.677082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.677082 (E_RNA)
where:
Base-Base interactions energy: -738.303
where: short stacking energy: -402.924
Base-Backbone interact. energy: -2.243
local terms energy: -543.131131
where:
bonds (distance) C4'-P energy: -131.531
bonds (distance) P-C4' energy: -150.916
flat angles C4'-P-C4' energy: -124.496
flat angles P-C4'-P energy: -80.466
tors. eta vs tors. theta energy: -55.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -899.776011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.776011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.776011 (E_RNA)
where:
Base-Base interactions energy: -410.756
where: short stacking energy: -239.497
Base-Backbone interact. energy: 0.104
local terms energy: -489.123174
where:
bonds (distance) C4'-P energy: -150.612
bonds (distance) P-C4' energy: -148.755
flat angles C4'-P-C4' energy: -125.666
flat angles P-C4'-P energy: -81.860
tors. eta vs tors. theta energy: 17.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -815.102063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.102063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.102063 (E_RNA)
where:
Base-Base interactions energy: -354.523
where: short stacking energy: -202.003
Base-Backbone interact. energy: 1.074
local terms energy: -461.652755
where:
bonds (distance) C4'-P energy: -151.477
bonds (distance) P-C4' energy: -153.620
flat angles C4'-P-C4' energy: -122.634
flat angles P-C4'-P energy: -79.021
tors. eta vs tors. theta energy: 45.099
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: 355
Temperature: 0.900000
Total energy: -3002.925987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3002.925987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3002.925987 (E_RNA)
where:
Base-Base interactions energy: -2034.842
where: short stacking energy: -861.233
Base-Backbone interact. energy: -3.523
local terms energy: -964.560637
where:
bonds (distance) C4'-P energy: -182.444
bonds (distance) P-C4' energy: -189.684
flat angles C4'-P-C4' energy: -203.384
flat angles P-C4'-P energy: -127.375
tors. eta vs tors. theta energy: -261.673
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: 10
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -2968.958951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2968.958951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2968.958951 (E_RNA)
where:
Base-Base interactions energy: -2022.309
where: short stacking energy: -853.522
Base-Backbone interact. energy: -6.443
local terms energy: -940.206588
where:
bonds (distance) C4'-P energy: -165.608
bonds (distance) P-C4' energy: -190.653
flat angles C4'-P-C4' energy: -202.817
flat angles P-C4'-P energy: -124.268
tors. eta vs tors. theta energy: -256.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -2736.754096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2736.754096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2736.754096 (E_RNA)
where:
Base-Base interactions energy: -1885.050
where: short stacking energy: -789.950
Base-Backbone interact. energy: 7.802
local terms energy: -859.505358
where:
bonds (distance) C4'-P energy: -161.529
bonds (distance) P-C4' energy: -176.793
flat angles C4'-P-C4' energy: -196.075
flat angles P-C4'-P energy: -98.892
tors. eta vs tors. theta energy: -226.215
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: 6
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -2585.841526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2585.841526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2585.841526 (E_RNA)
where:
Base-Base interactions energy: -1741.112
where: short stacking energy: -759.242
Base-Backbone interact. energy: -4.780
local terms energy: -839.948773
where:
bonds (distance) C4'-P energy: -153.436
bonds (distance) P-C4' energy: -163.141
flat angles C4'-P-C4' energy: -193.866
flat angles P-C4'-P energy: -113.034
tors. eta vs tors. theta energy: -216.471
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: 5, replica: 1
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -2460.961091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2460.961091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2460.961091 (E_RNA)
where:
Base-Base interactions energy: -1642.072
where: short stacking energy: -684.678
Base-Backbone interact. energy: -2.633
local terms energy: -816.256618
where:
bonds (distance) C4'-P energy: -161.993
bonds (distance) P-C4' energy: -150.730
flat angles C4'-P-C4' energy: -183.060
flat angles P-C4'-P energy: -126.246
tors. eta vs tors. theta energy: -194.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -1950.043743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.043743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.043743 (E_RNA)
where:
Base-Base interactions energy: -1282.138
where: short stacking energy: -557.568
Base-Backbone interact. energy: -4.962
local terms energy: -662.944028
where:
bonds (distance) C4'-P energy: -139.770
bonds (distance) P-C4' energy: -135.036
flat angles C4'-P-C4' energy: -149.127
flat angles P-C4'-P energy: -116.140
tors. eta vs tors. theta energy: -122.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -1523.782931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.782931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.782931 (E_RNA)
where:
Base-Base interactions energy: -897.917
where: short stacking energy: -449.611
Base-Backbone interact. energy: -0.380
local terms energy: -625.485611
where:
bonds (distance) C4'-P energy: -162.821
bonds (distance) P-C4' energy: -149.998
flat angles C4'-P-C4' energy: -141.564
flat angles P-C4'-P energy: -93.559
tors. eta vs tors. theta energy: -77.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -1290.701021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.701021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.701021 (E_RNA)
where:
Base-Base interactions energy: -738.641
where: short stacking energy: -379.032
Base-Backbone interact. energy: 0.475
local terms energy: -552.535035
where:
bonds (distance) C4'-P energy: -152.956
bonds (distance) P-C4' energy: -134.349
flat angles C4'-P-C4' energy: -123.563
flat angles P-C4'-P energy: -94.732
tors. eta vs tors. theta energy: -46.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -873.500564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.500564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.500564 (E_RNA)
where:
Base-Base interactions energy: -388.065
where: short stacking energy: -210.215
Base-Backbone interact. energy: -4.199
local terms energy: -482.104445
where:
bonds (distance) C4'-P energy: -132.444
bonds (distance) P-C4' energy: -148.142
flat angles C4'-P-C4' energy: -123.601
flat angles P-C4'-P energy: -84.996
tors. eta vs tors. theta energy: 7.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.868 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -809.231799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.231799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.231799 (E_RNA)
where:
Base-Base interactions energy: -340.645
where: short stacking energy: -221.021
Base-Backbone interact. energy: -1.299
local terms energy: -467.287382
where:
bonds (distance) C4'-P energy: -152.759
bonds (distance) P-C4' energy: -144.613
flat angles C4'-P-C4' energy: -122.552
flat angles P-C4'-P energy: -74.646
tors. eta vs tors. theta energy: 27.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -2997.196249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2997.196249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2997.196249 (E_RNA)
where:
Base-Base interactions energy: -2062.780
where: short stacking energy: -847.279
Base-Backbone interact. energy: -4.092
local terms energy: -930.324109
where:
bonds (distance) C4'-P energy: -171.594
bonds (distance) P-C4' energy: -184.519
flat angles C4'-P-C4' energy: -200.930
flat angles P-C4'-P energy: -123.899
tors. eta vs tors. theta energy: -249.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -2940.902590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2940.902590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2940.902590 (E_RNA)
where:
Base-Base interactions energy: -2054.297
where: short stacking energy: -845.503
Base-Backbone interact. energy: 0.881
local terms energy: -887.486231
where:
bonds (distance) C4'-P energy: -167.221
bonds (distance) P-C4' energy: -158.254
flat angles C4'-P-C4' energy: -174.086
flat angles P-C4'-P energy: -139.714
tors. eta vs tors. theta energy: -248.211
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: 3
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -2738.443020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2738.443020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2738.443020 (E_RNA)
where:
Base-Base interactions energy: -1852.838
where: short stacking energy: -780.126
Base-Backbone interact. energy: -1.409
local terms energy: -884.196756
where:
bonds (distance) C4'-P energy: -177.950
bonds (distance) P-C4' energy: -171.366
flat angles C4'-P-C4' energy: -185.034
flat angles P-C4'-P energy: -118.248
tors. eta vs tors. theta energy: -231.599
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: 4, replica: 6
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -2575.051704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2575.051704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2575.051704 (E_RNA)
where:
Base-Base interactions energy: -1724.752
where: short stacking energy: -723.950
Base-Backbone interact. energy: -2.593
local terms energy: -847.706415
where:
bonds (distance) C4'-P energy: -159.222
bonds (distance) P-C4' energy: -177.365
flat angles C4'-P-C4' energy: -183.564
flat angles P-C4'-P energy: -109.530
tors. eta vs tors. theta energy: -218.025
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: 5, replica: 1
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -2423.557277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2423.557277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2423.557277 (E_RNA)
where:
Base-Base interactions energy: -1644.630
where: short stacking energy: -641.022
Base-Backbone interact. energy: -3.515
local terms energy: -775.412848
where:
bonds (distance) C4'-P energy: -137.442
bonds (distance) P-C4' energy: -158.542
flat angles C4'-P-C4' energy: -173.038
flat angles P-C4'-P energy: -111.230
tors. eta vs tors. theta energy: -195.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -1941.745217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.745217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.745217 (E_RNA)
where:
Base-Base interactions energy: -1227.032
where: short stacking energy: -539.774
Base-Backbone interact. energy: -1.964
local terms energy: -712.748922
where:
bonds (distance) C4'-P energy: -144.305
bonds (distance) P-C4' energy: -157.803
flat angles C4'-P-C4' energy: -181.046
flat angles P-C4'-P energy: -110.079
tors. eta vs tors. theta energy: -119.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -1488.249273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.249273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.249273 (E_RNA)
where:
Base-Base interactions energy: -844.524
where: short stacking energy: -427.223
Base-Backbone interact. energy: 0.810
local terms energy: -644.534609
where:
bonds (distance) C4'-P energy: -155.692
bonds (distance) P-C4' energy: -158.653
flat angles C4'-P-C4' energy: -150.544
flat angles P-C4'-P energy: -111.927
tors. eta vs tors. theta energy: -67.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -1151.403826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.403826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.403826 (E_RNA)
where:
Base-Base interactions energy: -594.180
where: short stacking energy: -309.056
Base-Backbone interact. energy: 3.295
local terms energy: -560.518182
where:
bonds (distance) C4'-P energy: -141.432
bonds (distance) P-C4' energy: -154.620
flat angles C4'-P-C4' energy: -142.561
flat angles P-C4'-P energy: -94.244
tors. eta vs tors. theta energy: -27.662
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: 9, replica: 2
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -924.792134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.792134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.792134 (E_RNA)
where:
Base-Base interactions energy: -437.529
where: short stacking energy: -257.844
Base-Backbone interact. energy: -2.402
local terms energy: -484.860881
where:
bonds (distance) C4'-P energy: -130.798
bonds (distance) P-C4' energy: -152.429
flat angles C4'-P-C4' energy: -125.200
flat angles P-C4'-P energy: -89.657
tors. eta vs tors. theta energy: 13.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -836.203106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.203106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.203106 (E_RNA)
where:
Base-Base interactions energy: -410.842
where: short stacking energy: -201.714
Base-Backbone interact. energy: 1.098
local terms energy: -426.458998
where:
bonds (distance) C4'-P energy: -119.052
bonds (distance) P-C4' energy: -150.658
flat angles C4'-P-C4' energy: -117.749
flat angles P-C4'-P energy: -74.528
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: 1, replica: 7
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -3047.802990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3047.802990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3047.802990 (E_RNA)
where:
Base-Base interactions energy: -2072.412
where: short stacking energy: -894.448
Base-Backbone interact. energy: -5.219
local terms energy: -970.171768
where:
bonds (distance) C4'-P energy: -171.837
bonds (distance) P-C4' energy: -187.133
flat angles C4'-P-C4' energy: -200.691
flat angles P-C4'-P energy: -127.232
tors. eta vs tors. theta energy: -283.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -2926.791697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2926.791697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2926.791697 (E_RNA)
where:
Base-Base interactions energy: -2032.482
where: short stacking energy: -850.037
Base-Backbone interact. energy: -7.024
local terms energy: -887.286114
where:
bonds (distance) C4'-P energy: -170.012
bonds (distance) P-C4' energy: -161.814
flat angles C4'-P-C4' energy: -210.612
flat angles P-C4'-P energy: -103.058
tors. eta vs tors. theta energy: -241.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -2678.013775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2678.013775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2678.013775 (E_RNA)
where:
Base-Base interactions energy: -1815.650
where: short stacking energy: -769.841
Base-Backbone interact. energy: -5.219
local terms energy: -857.145090
where:
bonds (distance) C4'-P energy: -149.277
bonds (distance) P-C4' energy: -174.003
flat angles C4'-P-C4' energy: -177.563
flat angles P-C4'-P energy: -130.444
tors. eta vs tors. theta energy: -225.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -2600.501563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2600.501563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2600.501563 (E_RNA)
where:
Base-Base interactions energy: -1738.779
where: short stacking energy: -729.581
Base-Backbone interact. energy: -1.168
local terms energy: -860.554333
where:
bonds (distance) C4'-P energy: -156.049
bonds (distance) P-C4' energy: -174.358
flat angles C4'-P-C4' energy: -183.088
flat angles P-C4'-P energy: -109.223
tors. eta vs tors. theta energy: -237.837
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: 1
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -2343.407891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2343.407891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2343.407891 (E_RNA)
where:
Base-Base interactions energy: -1593.276
where: short stacking energy: -667.741
Base-Backbone interact. energy: 3.109
local terms energy: -753.240854
where:
bonds (distance) C4'-P energy: -140.552
bonds (distance) P-C4' energy: -169.240
flat angles C4'-P-C4' energy: -167.896
flat angles P-C4'-P energy: -98.773
tors. eta vs tors. theta energy: -176.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -1908.402321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.402321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.402321 (E_RNA)
where:
Base-Base interactions energy: -1199.503
where: short stacking energy: -529.451
Base-Backbone interact. energy: -5.815
local terms energy: -703.084556
where:
bonds (distance) C4'-P energy: -142.846
bonds (distance) P-C4' energy: -156.459
flat angles C4'-P-C4' energy: -176.761
flat angles P-C4'-P energy: -109.040
tors. eta vs tors. theta energy: -117.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -1549.786252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.786252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.786252 (E_RNA)
where:
Base-Base interactions energy: -953.250
where: short stacking energy: -442.653
Base-Backbone interact. energy: 3.765
local terms energy: -600.300925
where:
bonds (distance) C4'-P energy: -117.916
bonds (distance) P-C4' energy: -162.573
flat angles C4'-P-C4' energy: -144.022
flat angles P-C4'-P energy: -85.473
tors. eta vs tors. theta energy: -90.318
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: 8
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -1143.470206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.470206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.470206 (E_RNA)
where:
Base-Base interactions energy: -617.356
where: short stacking energy: -347.653
Base-Backbone interact. energy: -0.337
local terms energy: -525.776421
where:
bonds (distance) C4'-P energy: -134.045
bonds (distance) P-C4' energy: -143.129
flat angles C4'-P-C4' energy: -129.964
flat angles P-C4'-P energy: -79.565
tors. eta vs tors. theta energy: -39.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -978.187744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.187744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.187744 (E_RNA)
where:
Base-Base interactions energy: -503.444
where: short stacking energy: -275.137
Base-Backbone interact. energy: 8.285
local terms energy: -483.029069
where:
bonds (distance) C4'-P energy: -156.588
bonds (distance) P-C4' energy: -142.145
flat angles C4'-P-C4' energy: -115.497
flat angles P-C4'-P energy: -62.932
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: 4
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -842.473038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.473038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.473038 (E_RNA)
where:
Base-Base interactions energy: -408.059
where: short stacking energy: -250.401
Base-Backbone interact. energy: -3.600
local terms energy: -430.814023
where:
bonds (distance) C4'-P energy: -121.162
bonds (distance) P-C4' energy: -130.997
flat angles C4'-P-C4' energy: -118.937
flat angles P-C4'-P energy: -56.111
tors. eta vs tors. theta energy: -3.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -3006.346300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3006.346300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3006.346300 (E_RNA)
where:
Base-Base interactions energy: -2079.524
where: short stacking energy: -909.118
Base-Backbone interact. energy: 0.924
local terms energy: -927.746751
where:
bonds (distance) C4'-P energy: -149.569
bonds (distance) P-C4' energy: -178.603
flat angles C4'-P-C4' energy: -202.835
flat angles P-C4'-P energy: -118.208
tors. eta vs tors. theta energy: -278.532
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: 10
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -2932.548062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2932.548062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2932.548062 (E_RNA)
where:
Base-Base interactions energy: -2001.093
where: short stacking energy: -831.346
Base-Backbone interact. energy: -7.957
local terms energy: -923.498539
where:
bonds (distance) C4'-P energy: -150.556
bonds (distance) P-C4' energy: -175.950
flat angles C4'-P-C4' energy: -204.889
flat angles P-C4'-P energy: -133.759
tors. eta vs tors. theta energy: -258.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -2677.248851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2677.248851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2677.248851 (E_RNA)
where:
Base-Base interactions energy: -1845.856
where: short stacking energy: -758.898
Base-Backbone interact. energy: -1.188
local terms energy: -830.204218
where:
bonds (distance) C4'-P energy: -152.313
bonds (distance) P-C4' energy: -169.700
flat angles C4'-P-C4' energy: -190.543
flat angles P-C4'-P energy: -108.959
tors. eta vs tors. theta energy: -208.689
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: 6
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -2593.075989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2593.075989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2593.075989 (E_RNA)
where:
Base-Base interactions energy: -1748.771
where: short stacking energy: -720.586
Base-Backbone interact. energy: -3.878
local terms energy: -840.427403
where:
bonds (distance) C4'-P energy: -154.751
bonds (distance) P-C4' energy: -171.039
flat angles C4'-P-C4' energy: -183.501
flat angles P-C4'-P energy: -103.022
tors. eta vs tors. theta energy: -228.115
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: 5, replica: 1
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -2343.551059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2343.551059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2343.551059 (E_RNA)
where:
Base-Base interactions energy: -1568.453
where: short stacking energy: -659.849
Base-Backbone interact. energy: -4.247
local terms energy: -770.851132
where:
bonds (distance) C4'-P energy: -145.881
bonds (distance) P-C4' energy: -145.755
flat angles C4'-P-C4' energy: -171.426
flat angles P-C4'-P energy: -127.419
tors. eta vs tors. theta energy: -180.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -2002.107942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.107942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.107942 (E_RNA)
where:
Base-Base interactions energy: -1310.213
where: short stacking energy: -591.144
Base-Backbone interact. energy: 0.443
local terms energy: -692.337644
where:
bonds (distance) C4'-P energy: -118.798
bonds (distance) P-C4' energy: -171.408
flat angles C4'-P-C4' energy: -165.847
flat angles P-C4'-P energy: -88.953
tors. eta vs tors. theta energy: -147.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -1640.523292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.523292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.523292 (E_RNA)
where:
Base-Base interactions energy: -1017.476
where: short stacking energy: -463.510
Base-Backbone interact. energy: -2.450
local terms energy: -620.596735
where:
bonds (distance) C4'-P energy: -149.893
bonds (distance) P-C4' energy: -150.736
flat angles C4'-P-C4' energy: -146.141
flat angles P-C4'-P energy: -88.217
tors. eta vs tors. theta energy: -85.610
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: 8, replica: 8
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -1184.472395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.472395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.472395 (E_RNA)
where:
Base-Base interactions energy: -654.435
where: short stacking energy: -376.160
Base-Backbone interact. energy: -1.592
local terms energy: -528.445300
where:
bonds (distance) C4'-P energy: -125.277
bonds (distance) P-C4' energy: -154.833
flat angles C4'-P-C4' energy: -140.745
flat angles P-C4'-P energy: -70.443
tors. eta vs tors. theta energy: -37.147
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: 9, replica: 2
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -1059.951942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.951942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.951942 (E_RNA)
where:
Base-Base interactions energy: -562.024
where: short stacking energy: -303.005
Base-Backbone interact. energy: 4.052
local terms energy: -501.980120
where:
bonds (distance) C4'-P energy: -136.573
bonds (distance) P-C4' energy: -145.280
flat angles C4'-P-C4' energy: -132.073
flat angles P-C4'-P energy: -102.297
tors. eta vs tors. theta energy: 14.244
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: 4
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -840.858637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.858637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.858637 (E_RNA)
where:
Base-Base interactions energy: -369.488
where: short stacking energy: -217.847
Base-Backbone interact. energy: -3.292
local terms energy: -468.079108
where:
bonds (distance) C4'-P energy: -124.903
bonds (distance) P-C4' energy: -150.108
flat angles C4'-P-C4' energy: -111.646
flat angles P-C4'-P energy: -88.783
tors. eta vs tors. theta energy: 7.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -3003.437896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3003.437896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3003.437896 (E_RNA)
where:
Base-Base interactions energy: -2046.378
where: short stacking energy: -877.709
Base-Backbone interact. energy: -4.692
local terms energy: -952.367743
where:
bonds (distance) C4'-P energy: -178.512
bonds (distance) P-C4' energy: -175.032
flat angles C4'-P-C4' energy: -200.452
flat angles P-C4'-P energy: -130.081
tors. eta vs tors. theta energy: -268.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -2945.886861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2945.886861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2945.886861 (E_RNA)
where:
Base-Base interactions energy: -2031.856
where: short stacking energy: -821.003
Base-Backbone interact. energy: -4.627
local terms energy: -909.404485
where:
bonds (distance) C4'-P energy: -158.653
bonds (distance) P-C4' energy: -171.073
flat angles C4'-P-C4' energy: -191.807
flat angles P-C4'-P energy: -134.762
tors. eta vs tors. theta energy: -253.109
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: 3
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -2697.776663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2697.776663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2697.776663 (E_RNA)
where:
Base-Base interactions energy: -1861.581
where: short stacking energy: -786.907
Base-Backbone interact. energy: 2.738
local terms energy: -838.933668
where:
bonds (distance) C4'-P energy: -167.509
bonds (distance) P-C4' energy: -164.277
flat angles C4'-P-C4' energy: -182.924
flat angles P-C4'-P energy: -106.855
tors. eta vs tors. theta energy: -217.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -2629.851373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2629.851373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2629.851373 (E_RNA)
where:
Base-Base interactions energy: -1761.490
where: short stacking energy: -783.027
Base-Backbone interact. energy: -2.374
local terms energy: -865.987074
where:
bonds (distance) C4'-P energy: -157.191
bonds (distance) P-C4' energy: -168.623
flat angles C4'-P-C4' energy: -181.490
flat angles P-C4'-P energy: -132.426
tors. eta vs tors. theta energy: -226.256
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: 1
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -2365.825677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2365.825677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2365.825677 (E_RNA)
where:
Base-Base interactions energy: -1575.756
where: short stacking energy: -644.216
Base-Backbone interact. energy: 1.562
local terms energy: -791.632369
where:
bonds (distance) C4'-P energy: -164.107
bonds (distance) P-C4' energy: -172.398
flat angles C4'-P-C4' energy: -163.833
flat angles P-C4'-P energy: -110.822
tors. eta vs tors. theta energy: -180.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -2036.058678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.058678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.058678 (E_RNA)
where:
Base-Base interactions energy: -1308.356
where: short stacking energy: -587.378
Base-Backbone interact. energy: 2.312
local terms energy: -730.015486
where:
bonds (distance) C4'-P energy: -167.310
bonds (distance) P-C4' energy: -149.404
flat angles C4'-P-C4' energy: -160.515
flat angles P-C4'-P energy: -116.046
tors. eta vs tors. theta energy: -136.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -1638.798932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.798932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.798932 (E_RNA)
where:
Base-Base interactions energy: -1018.290
where: short stacking energy: -477.323
Base-Backbone interact. energy: 3.024
local terms energy: -623.532159
where:
bonds (distance) C4'-P energy: -125.376
bonds (distance) P-C4' energy: -148.159
flat angles C4'-P-C4' energy: -151.826
flat angles P-C4'-P energy: -114.436
tors. eta vs tors. theta energy: -83.736
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: 8, replica: 8
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -1140.096638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.096638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.096638 (E_RNA)
where:
Base-Base interactions energy: -609.888
where: short stacking energy: -318.412
Base-Backbone interact. energy: 2.228
local terms energy: -532.435880
where:
bonds (distance) C4'-P energy: -146.885
bonds (distance) P-C4' energy: -136.321
flat angles C4'-P-C4' energy: -156.464
flat angles P-C4'-P energy: -79.859
tors. eta vs tors. theta energy: -12.907
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: 9, replica: 2
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -1045.025312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.025312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.025312 (E_RNA)
where:
Base-Base interactions energy: -542.190
where: short stacking energy: -288.957
Base-Backbone interact. energy: 2.574
local terms energy: -505.408981
where:
bonds (distance) C4'-P energy: -143.986
bonds (distance) P-C4' energy: -141.364
flat angles C4'-P-C4' energy: -129.700
flat angles P-C4'-P energy: -73.972
tors. eta vs tors. theta energy: -16.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -819.665112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.665112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.665112 (E_RNA)
where:
Base-Base interactions energy: -365.499
where: short stacking energy: -215.691
Base-Backbone interact. energy: -3.986
local terms energy: -450.180587
where:
bonds (distance) C4'-P energy: -151.954
bonds (distance) P-C4' energy: -147.326
flat angles C4'-P-C4' energy: -118.083
flat angles P-C4'-P energy: -55.490
tors. eta vs tors. theta energy: 22.672
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: 7
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -3024.335831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3024.335831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3024.335831 (E_RNA)
where:
Base-Base interactions energy: -2063.352
where: short stacking energy: -866.134
Base-Backbone interact. energy: -1.778
local terms energy: -959.205988
where:
bonds (distance) C4'-P energy: -182.729
bonds (distance) P-C4' energy: -182.618
flat angles C4'-P-C4' energy: -193.006
flat angles P-C4'-P energy: -128.613
tors. eta vs tors. theta energy: -272.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -2883.368561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2883.368561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2883.368561 (E_RNA)
where:
Base-Base interactions energy: -2011.768
where: short stacking energy: -816.176
Base-Backbone interact. energy: -0.691
local terms energy: -870.909468
where:
bonds (distance) C4'-P energy: -164.656
bonds (distance) P-C4' energy: -163.786
flat angles C4'-P-C4' energy: -189.308
flat angles P-C4'-P energy: -101.744
tors. eta vs tors. theta energy: -251.416
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: 360
Temperature: 1.000000
Total energy: -2730.482693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2730.482693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2730.482693 (E_RNA)
where:
Base-Base interactions energy: -1870.299
where: short stacking energy: -791.540
Base-Backbone interact. energy: -3.470
local terms energy: -856.714395
where:
bonds (distance) C4'-P energy: -168.591
bonds (distance) P-C4' energy: -154.558
flat angles C4'-P-C4' energy: -189.983
flat angles P-C4'-P energy: -113.325
tors. eta vs tors. theta energy: -230.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -2665.026161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2665.026161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2665.026161 (E_RNA)
where:
Base-Base interactions energy: -1831.825
where: short stacking energy: -755.909
Base-Backbone interact. energy: -2.776
local terms energy: -830.426030
where:
bonds (distance) C4'-P energy: -152.635
bonds (distance) P-C4' energy: -155.913
flat angles C4'-P-C4' energy: -183.979
flat angles P-C4'-P energy: -114.433
tors. eta vs tors. theta energy: -223.466
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: 1
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -2337.302906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2337.302906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2337.302906 (E_RNA)
where:
Base-Base interactions energy: -1548.396
where: short stacking energy: -657.109
Base-Backbone interact. energy: -5.236
local terms energy: -783.671418
where:
bonds (distance) C4'-P energy: -149.121
bonds (distance) P-C4' energy: -172.187
flat angles C4'-P-C4' energy: -179.832
flat angles P-C4'-P energy: -107.339
tors. eta vs tors. theta energy: -175.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -2009.555338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.555338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.555338 (E_RNA)
where:
Base-Base interactions energy: -1317.458
where: short stacking energy: -590.970
Base-Backbone interact. energy: 3.396
local terms energy: -695.493681
where:
bonds (distance) C4'-P energy: -143.655
bonds (distance) P-C4' energy: -155.975
flat angles C4'-P-C4' energy: -152.757
flat angles P-C4'-P energy: -114.907
tors. eta vs tors. theta energy: -128.199
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: 5
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -1617.270948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.270948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.270948 (E_RNA)
where:
Base-Base interactions energy: -969.289
where: short stacking energy: -445.368
Base-Backbone interact. energy: -1.221
local terms energy: -646.761031
where:
bonds (distance) C4'-P energy: -148.067
bonds (distance) P-C4' energy: -162.306
flat angles C4'-P-C4' energy: -155.165
flat angles P-C4'-P energy: -94.661
tors. eta vs tors. theta energy: -86.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -1158.567462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.567462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.567462 (E_RNA)
where:
Base-Base interactions energy: -585.502
where: short stacking energy: -303.535
Base-Backbone interact. energy: -1.872
local terms energy: -571.193320
where:
bonds (distance) C4'-P energy: -147.134
bonds (distance) P-C4' energy: -157.061
flat angles C4'-P-C4' energy: -153.937
flat angles P-C4'-P energy: -93.354
tors. eta vs tors. theta energy: -19.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -1001.872878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.872878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.872878 (E_RNA)
where:
Base-Base interactions energy: -497.318
where: short stacking energy: -294.568
Base-Backbone interact. energy: 5.333
local terms energy: -511.235153
where:
bonds (distance) C4'-P energy: -108.934
bonds (distance) P-C4' energy: -167.724
flat angles C4'-P-C4' energy: -110.320
flat angles P-C4'-P energy: -105.083
tors. eta vs tors. theta energy: -19.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.348 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -814.171395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.171395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.171395 (E_RNA)
where:
Base-Base interactions energy: -354.275
where: short stacking energy: -188.888
Base-Backbone interact. energy: 1.320
local terms energy: -461.216584
where:
bonds (distance) C4'-P energy: -136.105
bonds (distance) P-C4' energy: -150.028
flat angles C4'-P-C4' energy: -125.560
flat angles P-C4'-P energy: -46.659
tors. eta vs tors. theta energy: -2.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -3038.467660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3038.467660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3038.467660 (E_RNA)
where:
Base-Base interactions energy: -2068.142
where: short stacking energy: -866.308
Base-Backbone interact. energy: -0.898
local terms energy: -969.427107
where:
bonds (distance) C4'-P energy: -168.866
bonds (distance) P-C4' energy: -179.096
flat angles C4'-P-C4' energy: -207.896
flat angles P-C4'-P energy: -140.810
tors. eta vs tors. theta energy: -272.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -2887.168427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2887.168427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2887.168427 (E_RNA)
where:
Base-Base interactions energy: -1969.707
where: short stacking energy: -804.632
Base-Backbone interact. energy: -0.575
local terms energy: -916.886715
where:
bonds (distance) C4'-P energy: -176.563
bonds (distance) P-C4' energy: -172.012
flat angles C4'-P-C4' energy: -189.375
flat angles P-C4'-P energy: -127.209
tors. eta vs tors. theta energy: -251.728
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: 6
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -2698.453253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2698.453253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2698.453253 (E_RNA)
where:
Base-Base interactions energy: -1805.827
where: short stacking energy: -755.123
Base-Backbone interact. energy: -1.051
local terms energy: -891.575129
where:
bonds (distance) C4'-P energy: -164.605
bonds (distance) P-C4' energy: -170.772
flat angles C4'-P-C4' energy: -196.517
flat angles P-C4'-P energy: -128.348
tors. eta vs tors. theta energy: -231.333
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: 4, replica: 3
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -2587.848991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2587.848991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2587.848991 (E_RNA)
where:
Base-Base interactions energy: -1739.999
where: short stacking energy: -715.783
Base-Backbone interact. energy: -5.569
local terms energy: -842.280936
where:
bonds (distance) C4'-P energy: -175.658
bonds (distance) P-C4' energy: -171.529
flat angles C4'-P-C4' energy: -178.372
flat angles P-C4'-P energy: -105.036
tors. eta vs tors. theta energy: -211.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -2283.418481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2283.418481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2283.418481 (E_RNA)
where:
Base-Base interactions energy: -1518.899
where: short stacking energy: -637.822
Base-Backbone interact. energy: -3.814
local terms energy: -760.705918
where:
bonds (distance) C4'-P energy: -154.535
bonds (distance) P-C4' energy: -169.502
flat angles C4'-P-C4' energy: -167.631
flat angles P-C4'-P energy: -99.216
tors. eta vs tors. theta energy: -169.821
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: 9
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -2040.592763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.592763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.592763 (E_RNA)
where:
Base-Base interactions energy: -1321.151
where: short stacking energy: -590.141
Base-Backbone interact. energy: -2.201
local terms energy: -717.240764
where:
bonds (distance) C4'-P energy: -142.588
bonds (distance) P-C4' energy: -170.618
flat angles C4'-P-C4' energy: -173.276
flat angles P-C4'-P energy: -96.885
tors. eta vs tors. theta energy: -133.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -1673.321707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.321707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.321707 (E_RNA)
where:
Base-Base interactions energy: -1006.457
where: short stacking energy: -466.365
Base-Backbone interact. energy: 0.310
local terms energy: -667.174920
where:
bonds (distance) C4'-P energy: -140.757
bonds (distance) P-C4' energy: -155.795
flat angles C4'-P-C4' energy: -165.271
flat angles P-C4'-P energy: -97.785
tors. eta vs tors. theta energy: -107.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -1216.579319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.579319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.579319 (E_RNA)
where:
Base-Base interactions energy: -665.844
where: short stacking energy: -335.624
Base-Backbone interact. energy: 1.822
local terms energy: -552.557556
where:
bonds (distance) C4'-P energy: -131.022
bonds (distance) P-C4' energy: -141.930
flat angles C4'-P-C4' energy: -157.477
flat angles P-C4'-P energy: -84.410
tors. eta vs tors. theta energy: -37.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -923.400948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.400948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.400948 (E_RNA)
where:
Base-Base interactions energy: -454.646
where: short stacking energy: -276.423
Base-Backbone interact. energy: 2.378
local terms energy: -471.133647
where:
bonds (distance) C4'-P energy: -109.418
bonds (distance) P-C4' energy: -162.779
flat angles C4'-P-C4' energy: -117.846
flat angles P-C4'-P energy: -69.636
tors. eta vs tors. theta energy: -11.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -795.617133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.617133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.617133 (E_RNA)
where:
Base-Base interactions energy: -349.049
where: short stacking energy: -209.527
Base-Backbone interact. energy: -0.906
local terms energy: -445.662470
where:
bonds (distance) C4'-P energy: -132.161
bonds (distance) P-C4' energy: -145.371
flat angles C4'-P-C4' energy: -112.888
flat angles P-C4'-P energy: -79.950
tors. eta vs tors. theta energy: 24.708
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: 362
Temperature: 0.900000
Total energy: -3014.791502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3014.791502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3014.791502 (E_RNA)
where:
Base-Base interactions energy: -2067.056
where: short stacking energy: -840.529
Base-Backbone interact. energy: -3.505
local terms energy: -944.230276
where:
bonds (distance) C4'-P energy: -165.349
bonds (distance) P-C4' energy: -187.504
flat angles C4'-P-C4' energy: -193.827
flat angles P-C4'-P energy: -135.778
tors. eta vs tors. theta energy: -261.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -2891.819357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2891.819357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2891.819357 (E_RNA)
where:
Base-Base interactions energy: -1954.082
where: short stacking energy: -836.127
Base-Backbone interact. energy: -6.638
local terms energy: -931.099369
where:
bonds (distance) C4'-P energy: -187.547
bonds (distance) P-C4' energy: -172.018
flat angles C4'-P-C4' energy: -195.002
flat angles P-C4'-P energy: -129.720
tors. eta vs tors. theta energy: -246.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -2662.850386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2662.850386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2662.850386 (E_RNA)
where:
Base-Base interactions energy: -1809.643
where: short stacking energy: -756.727
Base-Backbone interact. energy: -1.216
local terms energy: -851.991738
where:
bonds (distance) C4'-P energy: -161.712
bonds (distance) P-C4' energy: -167.571
flat angles C4'-P-C4' energy: -187.573
flat angles P-C4'-P energy: -105.805
tors. eta vs tors. theta energy: -229.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -2604.655573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2604.655573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2604.655573 (E_RNA)
where:
Base-Base interactions energy: -1776.934
where: short stacking energy: -718.240
Base-Backbone interact. energy: -3.078
local terms energy: -824.643724
where:
bonds (distance) C4'-P energy: -149.307
bonds (distance) P-C4' energy: -164.816
flat angles C4'-P-C4' energy: -173.010
flat angles P-C4'-P energy: -119.261
tors. eta vs tors. theta energy: -218.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -2362.626446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2362.626446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.626446 (E_RNA)
where:
Base-Base interactions energy: -1602.432
where: short stacking energy: -683.385
Base-Backbone interact. energy: 4.056
local terms energy: -764.250639
where:
bonds (distance) C4'-P energy: -141.062
bonds (distance) P-C4' energy: -151.028
flat angles C4'-P-C4' energy: -181.113
flat angles P-C4'-P energy: -98.321
tors. eta vs tors. theta energy: -192.727
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: 362
Temperature: 1.150000
Total energy: -2053.993928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2053.993928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2053.993928 (E_RNA)
where:
Base-Base interactions energy: -1328.309
where: short stacking energy: -594.640
Base-Backbone interact. energy: -0.938
local terms energy: -724.746328
where:
bonds (distance) C4'-P energy: -137.943
bonds (distance) P-C4' energy: -155.465
flat angles C4'-P-C4' energy: -160.701
flat angles P-C4'-P energy: -118.135
tors. eta vs tors. theta energy: -152.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -1717.461387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.461387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.461387 (E_RNA)
where:
Base-Base interactions energy: -1073.578
where: short stacking energy: -490.082
Base-Backbone interact. energy: 0.310
local terms energy: -644.193278
where:
bonds (distance) C4'-P energy: -141.793
bonds (distance) P-C4' energy: -145.595
flat angles C4'-P-C4' energy: -151.182
flat angles P-C4'-P energy: -94.491
tors. eta vs tors. theta energy: -111.132
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: 8, replica: 8
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -1323.573682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.573682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.573682 (E_RNA)
where:
Base-Base interactions energy: -783.795
where: short stacking energy: -354.811
Base-Backbone interact. energy: -2.390
local terms energy: -537.388494
where:
bonds (distance) C4'-P energy: -158.399
bonds (distance) P-C4' energy: -158.932
flat angles C4'-P-C4' energy: -96.819
flat angles P-C4'-P energy: -85.638
tors. eta vs tors. theta energy: -37.601
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: 362
Temperature: 1.300000
Total energy: -1058.125374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.125374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.125374 (E_RNA)
where:
Base-Base interactions energy: -555.290
where: short stacking energy: -323.694
Base-Backbone interact. energy: 0.429
local terms energy: -503.264610
where:
bonds (distance) C4'-P energy: -120.165
bonds (distance) P-C4' energy: -162.512
flat angles C4'-P-C4' energy: -126.802
flat angles P-C4'-P energy: -74.538
tors. eta vs tors. theta energy: -19.248
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: 362
Temperature: 1.350000
Total energy: -795.917288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.917288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.917288 (E_RNA)
where:
Base-Base interactions energy: -345.661
where: short stacking energy: -205.372
Base-Backbone interact. energy: 9.880
local terms energy: -460.136679
where:
bonds (distance) C4'-P energy: -147.856
bonds (distance) P-C4' energy: -154.483
flat angles C4'-P-C4' energy: -118.019
flat angles P-C4'-P energy: -66.644
tors. eta vs tors. theta energy: 26.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -3016.340507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3016.340507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3016.340507 (E_RNA)
where:
Base-Base interactions energy: -2086.611
where: short stacking energy: -860.820
Base-Backbone interact. energy: -2.566
local terms energy: -927.163508
where:
bonds (distance) C4'-P energy: -169.489
bonds (distance) P-C4' energy: -173.426
flat angles C4'-P-C4' energy: -197.295
flat angles P-C4'-P energy: -135.349
tors. eta vs tors. theta energy: -251.604
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: 10
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -2890.084042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2890.084042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2890.084042 (E_RNA)
where:
Base-Base interactions energy: -1966.589
where: short stacking energy: -861.093
Base-Backbone interact. energy: -3.062
local terms energy: -920.433124
where:
bonds (distance) C4'-P energy: -169.716
bonds (distance) P-C4' energy: -158.544
flat angles C4'-P-C4' energy: -206.638
flat angles P-C4'-P energy: -129.366
tors. eta vs tors. theta energy: -256.169
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: 363
Temperature: 1.000000
Total energy: -2702.373378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2702.373378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2702.373378 (E_RNA)
where:
Base-Base interactions energy: -1825.663
where: short stacking energy: -767.404
Base-Backbone interact. energy: -4.727
local terms energy: -871.983890
where:
bonds (distance) C4'-P energy: -168.865
bonds (distance) P-C4' energy: -160.415
flat angles C4'-P-C4' energy: -191.485
flat angles P-C4'-P energy: -114.910
tors. eta vs tors. theta energy: -236.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -2604.033150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2604.033150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2604.033150 (E_RNA)
where:
Base-Base interactions energy: -1798.209
where: short stacking energy: -744.392
Base-Backbone interact. energy: 1.127
local terms energy: -806.950782
where:
bonds (distance) C4'-P energy: -151.165
bonds (distance) P-C4' energy: -168.231
flat angles C4'-P-C4' energy: -172.260
flat angles P-C4'-P energy: -114.944
tors. eta vs tors. theta energy: -200.351
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: 1
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -2359.033134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2359.033134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2359.033134 (E_RNA)
where:
Base-Base interactions energy: -1604.482
where: short stacking energy: -676.056
Base-Backbone interact. energy: -0.724
local terms energy: -753.827006
where:
bonds (distance) C4'-P energy: -142.082
bonds (distance) P-C4' energy: -147.202
flat angles C4'-P-C4' energy: -176.611
flat angles P-C4'-P energy: -104.711
tors. eta vs tors. theta energy: -183.222
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: 9
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -2001.995847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.995847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.995847 (E_RNA)
where:
Base-Base interactions energy: -1313.945
where: short stacking energy: -589.701
Base-Backbone interact. energy: -4.062
local terms energy: -683.988989
where:
bonds (distance) C4'-P energy: -141.142
bonds (distance) P-C4' energy: -158.096
flat angles C4'-P-C4' energy: -145.307
flat angles P-C4'-P energy: -104.569
tors. eta vs tors. theta energy: -134.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -1724.159504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.159504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.159504 (E_RNA)
where:
Base-Base interactions energy: -1068.552
where: short stacking energy: -505.160
Base-Backbone interact. energy: 2.474
local terms energy: -658.082145
where:
bonds (distance) C4'-P energy: -143.439
bonds (distance) P-C4' energy: -167.905
flat angles C4'-P-C4' energy: -148.123
flat angles P-C4'-P energy: -101.371
tors. eta vs tors. theta energy: -97.244
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: 8
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -1341.130720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.130720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.130720 (E_RNA)
where:
Base-Base interactions energy: -775.025
where: short stacking energy: -388.257
Base-Backbone interact. energy: -1.293
local terms energy: -564.813398
where:
bonds (distance) C4'-P energy: -128.769
bonds (distance) P-C4' energy: -168.360
flat angles C4'-P-C4' energy: -125.604
flat angles P-C4'-P energy: -96.723
tors. eta vs tors. theta energy: -45.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -1031.428181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.428181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.428181 (E_RNA)
where:
Base-Base interactions energy: -558.219
where: short stacking energy: -312.486
Base-Backbone interact. energy: 0.765
local terms energy: -473.973830
where:
bonds (distance) C4'-P energy: -144.141
bonds (distance) P-C4' energy: -148.141
flat angles C4'-P-C4' energy: -108.596
flat angles P-C4'-P energy: -75.424
tors. eta vs tors. theta energy: 2.328
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: 10, replica: 4
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -787.504500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.504500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.504500 (E_RNA)
where:
Base-Base interactions energy: -360.014
where: short stacking energy: -211.305
Base-Backbone interact. energy: 12.542
local terms energy: -440.032297
where:
bonds (distance) C4'-P energy: -130.500
bonds (distance) P-C4' energy: -127.582
flat angles C4'-P-C4' energy: -125.063
flat angles P-C4'-P energy: -78.586
tors. eta vs tors. theta energy: 21.699
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: 1, replica: 7
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -3036.626478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3036.626478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3036.626478 (E_RNA)
where:
Base-Base interactions energy: -2055.872
where: short stacking energy: -879.548
Base-Backbone interact. energy: -1.894
local terms energy: -978.860528
where:
bonds (distance) C4'-P energy: -180.835
bonds (distance) P-C4' energy: -195.897
flat angles C4'-P-C4' energy: -201.442
flat angles P-C4'-P energy: -129.592
tors. eta vs tors. theta energy: -271.094
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: 10
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -2920.875054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2920.875054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2920.875054 (E_RNA)
where:
Base-Base interactions energy: -2015.185
where: short stacking energy: -866.280
Base-Backbone interact. energy: -4.750
local terms energy: -900.940036
where:
bonds (distance) C4'-P energy: -142.181
bonds (distance) P-C4' energy: -174.350
flat angles C4'-P-C4' energy: -190.860
flat angles P-C4'-P energy: -131.010
tors. eta vs tors. theta energy: -262.538
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: 6
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -2713.957679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2713.957679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2713.957679 (E_RNA)
where:
Base-Base interactions energy: -1833.850
where: short stacking energy: -771.633
Base-Backbone interact. energy: -0.913
local terms energy: -879.194194
where:
bonds (distance) C4'-P energy: -170.594
bonds (distance) P-C4' energy: -170.610
flat angles C4'-P-C4' energy: -198.211
flat angles P-C4'-P energy: -115.092
tors. eta vs tors. theta energy: -224.686
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: 3
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -2639.968164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2639.968164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2639.968164 (E_RNA)
where:
Base-Base interactions energy: -1782.288
where: short stacking energy: -738.702
Base-Backbone interact. energy: -2.555
local terms energy: -855.125227
where:
bonds (distance) C4'-P energy: -155.271
bonds (distance) P-C4' energy: -184.824
flat angles C4'-P-C4' energy: -183.434
flat angles P-C4'-P energy: -118.747
tors. eta vs tors. theta energy: -212.849
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: 1
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -2355.644785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2355.644785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2355.644785 (E_RNA)
where:
Base-Base interactions energy: -1571.602
where: short stacking energy: -664.042
Base-Backbone interact. energy: -2.335
local terms energy: -781.707209
where:
bonds (distance) C4'-P energy: -146.534
bonds (distance) P-C4' energy: -156.024
flat angles C4'-P-C4' energy: -171.013
flat angles P-C4'-P energy: -112.588
tors. eta vs tors. theta energy: -195.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -1991.949206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.949206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.949206 (E_RNA)
where:
Base-Base interactions energy: -1281.929
where: short stacking energy: -592.391
Base-Backbone interact. energy: -3.619
local terms energy: -706.401189
where:
bonds (distance) C4'-P energy: -149.076
bonds (distance) P-C4' energy: -151.873
flat angles C4'-P-C4' energy: -160.397
flat angles P-C4'-P energy: -99.079
tors. eta vs tors. theta energy: -145.976
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: 5
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -1685.098423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.098423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.098423 (E_RNA)
where:
Base-Base interactions energy: -1033.030
where: short stacking energy: -474.792
Base-Backbone interact. energy: 1.215
local terms energy: -653.283129
where:
bonds (distance) C4'-P energy: -136.306
bonds (distance) P-C4' energy: -151.562
flat angles C4'-P-C4' energy: -168.444
flat angles P-C4'-P energy: -95.759
tors. eta vs tors. theta energy: -101.213
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: 8
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -1376.407549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.407549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.407549 (E_RNA)
where:
Base-Base interactions energy: -769.962
where: short stacking energy: -393.724
Base-Backbone interact. energy: 8.516
local terms energy: -614.962176
where:
bonds (distance) C4'-P energy: -158.136
bonds (distance) P-C4' energy: -155.403
flat angles C4'-P-C4' energy: -142.365
flat angles P-C4'-P energy: -86.215
tors. eta vs tors. theta energy: -72.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -950.533979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.533979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.533979 (E_RNA)
where:
Base-Base interactions energy: -480.572
where: short stacking energy: -267.805
Base-Backbone interact. energy: -1.742
local terms energy: -468.220251
where:
bonds (distance) C4'-P energy: -143.333
bonds (distance) P-C4' energy: -133.441
flat angles C4'-P-C4' energy: -103.743
flat angles P-C4'-P energy: -85.985
tors. eta vs tors. theta energy: -1.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -784.354404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.354404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.354404 (E_RNA)
where:
Base-Base interactions energy: -334.419
where: short stacking energy: -206.603
Base-Backbone interact. energy: 3.987
local terms energy: -453.921846
where:
bonds (distance) C4'-P energy: -132.715
bonds (distance) P-C4' energy: -156.066
flat angles C4'-P-C4' energy: -124.805
flat angles P-C4'-P energy: -73.514
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: 1, replica: 7
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -2991.331834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2991.331834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2991.331834 (E_RNA)
where:
Base-Base interactions energy: -2053.882
where: short stacking energy: -901.007
Base-Backbone interact. energy: -1.122
local terms energy: -936.327956
where:
bonds (distance) C4'-P energy: -165.462
bonds (distance) P-C4' energy: -181.772
flat angles C4'-P-C4' energy: -200.215
flat angles P-C4'-P energy: -117.337
tors. eta vs tors. theta energy: -271.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -2919.128075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2919.128075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2919.128075 (E_RNA)
where:
Base-Base interactions energy: -2001.623
where: short stacking energy: -840.630
Base-Backbone interact. energy: -3.793
local terms energy: -913.711962
where:
bonds (distance) C4'-P energy: -166.412
bonds (distance) P-C4' energy: -169.485
flat angles C4'-P-C4' energy: -194.502
flat angles P-C4'-P energy: -129.752
tors. eta vs tors. theta energy: -253.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -2682.223918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2682.223918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2682.223918 (E_RNA)
where:
Base-Base interactions energy: -1833.068
where: short stacking energy: -791.414
Base-Backbone interact. energy: -1.448
local terms energy: -847.708004
where:
bonds (distance) C4'-P energy: -156.849
bonds (distance) P-C4' energy: -157.047
flat angles C4'-P-C4' energy: -179.087
flat angles P-C4'-P energy: -118.818
tors. eta vs tors. theta energy: -235.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -2625.786085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2625.786085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2625.786085 (E_RNA)
where:
Base-Base interactions energy: -1796.406
where: short stacking energy: -748.399
Base-Backbone interact. energy: -0.594
local terms energy: -828.786722
where:
bonds (distance) C4'-P energy: -152.459
bonds (distance) P-C4' energy: -176.750
flat angles C4'-P-C4' energy: -192.977
flat angles P-C4'-P energy: -107.398
tors. eta vs tors. theta energy: -199.204
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: 1
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -2350.895103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2350.895103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2350.895103 (E_RNA)
where:
Base-Base interactions energy: -1566.146
where: short stacking energy: -629.948
Base-Backbone interact. energy: -5.239
local terms energy: -779.510287
where:
bonds (distance) C4'-P energy: -154.885
bonds (distance) P-C4' energy: -157.876
flat angles C4'-P-C4' energy: -175.139
flat angles P-C4'-P energy: -115.267
tors. eta vs tors. theta energy: -176.344
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: 6, replica: 9
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -1980.442317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.442317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.442317 (E_RNA)
where:
Base-Base interactions energy: -1263.854
where: short stacking energy: -557.194
Base-Backbone interact. energy: -0.905
local terms energy: -715.682909
where:
bonds (distance) C4'-P energy: -149.659
bonds (distance) P-C4' energy: -169.950
flat angles C4'-P-C4' energy: -173.025
flat angles P-C4'-P energy: -94.539
tors. eta vs tors. theta energy: -128.510
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: 5
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -1653.153922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1653.153922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1653.153922 (E_RNA)
where:
Base-Base interactions energy: -1037.962
where: short stacking energy: -476.020
Base-Backbone interact. energy: 3.045
local terms energy: -618.236629
where:
bonds (distance) C4'-P energy: -136.184
bonds (distance) P-C4' energy: -153.084
flat angles C4'-P-C4' energy: -156.207
flat angles P-C4'-P energy: -82.133
tors. eta vs tors. theta energy: -90.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -1372.377124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.377124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.377124 (E_RNA)
where:
Base-Base interactions energy: -780.392
where: short stacking energy: -393.995
Base-Backbone interact. energy: -0.990
local terms energy: -590.995061
where:
bonds (distance) C4'-P energy: -149.416
bonds (distance) P-C4' energy: -165.822
flat angles C4'-P-C4' energy: -133.370
flat angles P-C4'-P energy: -84.357
tors. eta vs tors. theta energy: -58.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -917.340886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.340886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.340886 (E_RNA)
where:
Base-Base interactions energy: -428.222
where: short stacking energy: -253.975
Base-Backbone interact. energy: -3.487
local terms energy: -485.631462
where:
bonds (distance) C4'-P energy: -109.042
bonds (distance) P-C4' energy: -147.857
flat angles C4'-P-C4' energy: -134.193
flat angles P-C4'-P energy: -89.881
tors. eta vs tors. theta energy: -4.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -823.462670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.462670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.462670 (E_RNA)
where:
Base-Base interactions energy: -342.792
where: short stacking energy: -222.593
Base-Backbone interact. energy: 2.170
local terms energy: -482.840660
where:
bonds (distance) C4'-P energy: -152.226
bonds (distance) P-C4' energy: -151.217
flat angles C4'-P-C4' energy: -107.181
flat angles P-C4'-P energy: -91.135
tors. eta vs tors. theta energy: 18.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -2980.253126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2980.253126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2980.253126 (E_RNA)
where:
Base-Base interactions energy: -2042.181
where: short stacking energy: -839.444
Base-Backbone interact. energy: -3.380
local terms energy: -934.691724
where:
bonds (distance) C4'-P energy: -160.866
bonds (distance) P-C4' energy: -182.119
flat angles C4'-P-C4' energy: -201.351
flat angles P-C4'-P energy: -131.896
tors. eta vs tors. theta energy: -258.460
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: 10
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -2939.564332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2939.564332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2939.564332 (E_RNA)
where:
Base-Base interactions energy: -2018.240
where: short stacking energy: -852.433
Base-Backbone interact. energy: -3.835
local terms energy: -917.490102
where:
bonds (distance) C4'-P energy: -164.071
bonds (distance) P-C4' energy: -175.098
flat angles C4'-P-C4' energy: -190.994
flat angles P-C4'-P energy: -129.273
tors. eta vs tors. theta energy: -258.054
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: 6
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -2696.603127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2696.603127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2696.603127 (E_RNA)
where:
Base-Base interactions energy: -1802.295
where: short stacking energy: -772.314
Base-Backbone interact. energy: -0.343
local terms energy: -893.964825
where:
bonds (distance) C4'-P energy: -169.177
bonds (distance) P-C4' energy: -177.055
flat angles C4'-P-C4' energy: -187.781
flat angles P-C4'-P energy: -124.800
tors. eta vs tors. theta energy: -235.152
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: 3
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -2650.390914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2650.390914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2650.390914 (E_RNA)
where:
Base-Base interactions energy: -1810.853
where: short stacking energy: -733.003
Base-Backbone interact. energy: -0.759
local terms energy: -838.778927
where:
bonds (distance) C4'-P energy: -160.494
bonds (distance) P-C4' energy: -166.114
flat angles C4'-P-C4' energy: -175.834
flat angles P-C4'-P energy: -117.971
tors. eta vs tors. theta energy: -218.366
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: 1
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -2323.289380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2323.289380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2323.289380 (E_RNA)
where:
Base-Base interactions energy: -1579.525
where: short stacking energy: -645.873
Base-Backbone interact. energy: -3.370
local terms energy: -740.394268
where:
bonds (distance) C4'-P energy: -157.797
bonds (distance) P-C4' energy: -160.083
flat angles C4'-P-C4' energy: -148.293
flat angles P-C4'-P energy: -116.736
tors. eta vs tors. theta energy: -157.485
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: 6, replica: 9
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -1970.450443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.450443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.450443 (E_RNA)
where:
Base-Base interactions energy: -1248.824
where: short stacking energy: -569.662
Base-Backbone interact. energy: 1.079
local terms energy: -722.704655
where:
bonds (distance) C4'-P energy: -160.256
bonds (distance) P-C4' energy: -157.186
flat angles C4'-P-C4' energy: -157.181
flat angles P-C4'-P energy: -104.706
tors. eta vs tors. theta energy: -143.376
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: 5
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -1751.998657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.998657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.998657 (E_RNA)
where:
Base-Base interactions energy: -1139.526
where: short stacking energy: -490.025
Base-Backbone interact. energy: -4.436
local terms energy: -608.036326
where:
bonds (distance) C4'-P energy: -148.005
bonds (distance) P-C4' energy: -146.062
flat angles C4'-P-C4' energy: -155.403
flat angles P-C4'-P energy: -69.709
tors. eta vs tors. theta energy: -88.857
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: 8
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -1362.108924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.108924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.108924 (E_RNA)
where:
Base-Base interactions energy: -794.589
where: short stacking energy: -420.781
Base-Backbone interact. energy: -1.013
local terms energy: -566.506929
where:
bonds (distance) C4'-P energy: -141.862
bonds (distance) P-C4' energy: -134.370
flat angles C4'-P-C4' energy: -138.105
flat angles P-C4'-P energy: -93.349
tors. eta vs tors. theta energy: -58.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -948.010787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.010787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.010787 (E_RNA)
where:
Base-Base interactions energy: -453.809
where: short stacking energy: -279.387
Base-Backbone interact. energy: 8.692
local terms energy: -502.892959
where:
bonds (distance) C4'-P energy: -141.459
bonds (distance) P-C4' energy: -147.654
flat angles C4'-P-C4' energy: -112.836
flat angles P-C4'-P energy: -79.211
tors. eta vs tors. theta energy: -21.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -828.370391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.370391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.370391 (E_RNA)
where:
Base-Base interactions energy: -385.214
where: short stacking energy: -249.133
Base-Backbone interact. energy: 5.240
local terms energy: -448.396347
where:
bonds (distance) C4'-P energy: -125.188
bonds (distance) P-C4' energy: -155.561
flat angles C4'-P-C4' energy: -137.987
flat angles P-C4'-P energy: -48.862
tors. eta vs tors. theta energy: 19.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -2976.597437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2976.597437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2976.597437 (E_RNA)
where:
Base-Base interactions energy: -1997.825
where: short stacking energy: -858.625
Base-Backbone interact. energy: -1.824
local terms energy: -976.948666
where:
bonds (distance) C4'-P energy: -174.804
bonds (distance) P-C4' energy: -204.458
flat angles C4'-P-C4' energy: -196.649
flat angles P-C4'-P energy: -128.118
tors. eta vs tors. theta energy: -272.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -2887.957505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2887.957505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2887.957505 (E_RNA)
where:
Base-Base interactions energy: -1978.397
where: short stacking energy: -845.299
Base-Backbone interact. energy: -1.766
local terms energy: -907.793863
where:
bonds (distance) C4'-P energy: -163.494
bonds (distance) P-C4' energy: -172.050
flat angles C4'-P-C4' energy: -193.750
flat angles P-C4'-P energy: -127.950
tors. eta vs tors. theta energy: -250.551
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: 6
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -2656.894312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2656.894312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2656.894312 (E_RNA)
where:
Base-Base interactions energy: -1767.616
where: short stacking energy: -761.603
Base-Backbone interact. energy: -2.839
local terms energy: -886.438646
where:
bonds (distance) C4'-P energy: -165.854
bonds (distance) P-C4' energy: -177.703
flat angles C4'-P-C4' energy: -185.641
flat angles P-C4'-P energy: -119.001
tors. eta vs tors. theta energy: -238.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -2584.832539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2584.832539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2584.832539 (E_RNA)
where:
Base-Base interactions energy: -1793.560
where: short stacking energy: -729.770
Base-Backbone interact. energy: -3.992
local terms energy: -787.279910
where:
bonds (distance) C4'-P energy: -144.228
bonds (distance) P-C4' energy: -164.813
flat angles C4'-P-C4' energy: -173.854
flat angles P-C4'-P energy: -96.343
tors. eta vs tors. theta energy: -208.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -2341.551333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2341.551333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.551333 (E_RNA)
where:
Base-Base interactions energy: -1559.717
where: short stacking energy: -656.455
Base-Backbone interact. energy: -1.896
local terms energy: -779.938300
where:
bonds (distance) C4'-P energy: -162.593
bonds (distance) P-C4' energy: -159.975
flat angles C4'-P-C4' energy: -171.105
flat angles P-C4'-P energy: -105.721
tors. eta vs tors. theta energy: -180.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -1939.857711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.857711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.857711 (E_RNA)
where:
Base-Base interactions energy: -1251.390
where: short stacking energy: -556.210
Base-Backbone interact. energy: -2.226
local terms energy: -686.241336
where:
bonds (distance) C4'-P energy: -149.037
bonds (distance) P-C4' energy: -161.919
flat angles C4'-P-C4' energy: -143.660
flat angles P-C4'-P energy: -98.577
tors. eta vs tors. theta energy: -133.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -1837.678839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.678839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.678839 (E_RNA)
where:
Base-Base interactions energy: -1157.785
where: short stacking energy: -523.803
Base-Backbone interact. energy: -1.928
local terms energy: -677.965864
where:
bonds (distance) C4'-P energy: -134.660
bonds (distance) P-C4' energy: -164.447
flat angles C4'-P-C4' energy: -154.643
flat angles P-C4'-P energy: -102.710
tors. eta vs tors. theta energy: -121.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -1330.696282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.696282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.696282 (E_RNA)
where:
Base-Base interactions energy: -744.763
where: short stacking energy: -368.694
Base-Backbone interact. energy: -3.620
local terms energy: -582.312826
where:
bonds (distance) C4'-P energy: -148.410
bonds (distance) P-C4' energy: -173.223
flat angles C4'-P-C4' energy: -155.461
flat angles P-C4'-P energy: -76.454
tors. eta vs tors. theta energy: -28.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -956.522828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.522828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.522828 (E_RNA)
where:
Base-Base interactions energy: -483.612
where: short stacking energy: -274.842
Base-Backbone interact. energy: -2.098
local terms energy: -470.812219
where:
bonds (distance) C4'-P energy: -137.645
bonds (distance) P-C4' energy: -147.646
flat angles C4'-P-C4' energy: -121.726
flat angles P-C4'-P energy: -70.008
tors. eta vs tors. theta energy: 6.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -731.116024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.116024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.116024 (E_RNA)
where:
Base-Base interactions energy: -290.456
where: short stacking energy: -200.259
Base-Backbone interact. energy: 0.841
local terms energy: -441.500719
where:
bonds (distance) C4'-P energy: -110.122
bonds (distance) P-C4' energy: -178.566
flat angles C4'-P-C4' energy: -124.744
flat angles P-C4'-P energy: -62.530
tors. eta vs tors. theta energy: 34.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -3008.067981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3008.067981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3008.067981 (E_RNA)
where:
Base-Base interactions energy: -2059.950
where: short stacking energy: -866.698
Base-Backbone interact. energy: 0.093
local terms energy: -948.211517
where:
bonds (distance) C4'-P energy: -175.234
bonds (distance) P-C4' energy: -172.289
flat angles C4'-P-C4' energy: -204.601
flat angles P-C4'-P energy: -128.040
tors. eta vs tors. theta energy: -268.048
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: 10
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -2873.887086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2873.887086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2873.887086 (E_RNA)
where:
Base-Base interactions energy: -1938.169
where: short stacking energy: -821.162
Base-Backbone interact. energy: -4.245
local terms energy: -931.473109
where:
bonds (distance) C4'-P energy: -179.257
bonds (distance) P-C4' energy: -182.588
flat angles C4'-P-C4' energy: -188.369
flat angles P-C4'-P energy: -134.339
tors. eta vs tors. theta energy: -246.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -2710.641452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2710.641452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2710.641452 (E_RNA)
where:
Base-Base interactions energy: -1837.943
where: short stacking energy: -750.014
Base-Backbone interact. energy: -2.161
local terms energy: -870.537596
where:
bonds (distance) C4'-P energy: -179.735
bonds (distance) P-C4' energy: -175.069
flat angles C4'-P-C4' energy: -188.141
flat angles P-C4'-P energy: -115.403
tors. eta vs tors. theta energy: -212.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -2592.100659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2592.100659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2592.100659 (E_RNA)
where:
Base-Base interactions energy: -1752.724
where: short stacking energy: -737.715
Base-Backbone interact. energy: 0.344
local terms energy: -839.720683
where:
bonds (distance) C4'-P energy: -171.700
bonds (distance) P-C4' energy: -168.088
flat angles C4'-P-C4' energy: -181.685
flat angles P-C4'-P energy: -92.014
tors. eta vs tors. theta energy: -226.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -2399.157940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2399.157940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2399.157940 (E_RNA)
where:
Base-Base interactions energy: -1594.960
where: short stacking energy: -715.858
Base-Backbone interact. energy: -1.717
local terms energy: -802.480708
where:
bonds (distance) C4'-P energy: -165.949
bonds (distance) P-C4' energy: -157.841
flat angles C4'-P-C4' energy: -177.761
flat angles P-C4'-P energy: -101.438
tors. eta vs tors. theta energy: -199.491
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: 9
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -1997.214858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.214858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.214858 (E_RNA)
where:
Base-Base interactions energy: -1293.838
where: short stacking energy: -573.145
Base-Backbone interact. energy: -0.190
local terms energy: -703.187698
where:
bonds (distance) C4'-P energy: -152.122
bonds (distance) P-C4' energy: -154.124
flat angles C4'-P-C4' energy: -154.472
flat angles P-C4'-P energy: -100.870
tors. eta vs tors. theta energy: -141.598
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: 7, replica: 5
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -1798.262445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.262445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.262445 (E_RNA)
where:
Base-Base interactions energy: -1146.581
where: short stacking energy: -544.614
Base-Backbone interact. energy: 1.648
local terms energy: -653.328858
where:
bonds (distance) C4'-P energy: -156.273
bonds (distance) P-C4' energy: -125.829
flat angles C4'-P-C4' energy: -145.000
flat angles P-C4'-P energy: -104.204
tors. eta vs tors. theta energy: -122.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -1320.727234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.727234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.727234 (E_RNA)
where:
Base-Base interactions energy: -779.157
where: short stacking energy: -382.818
Base-Backbone interact. energy: -0.629
local terms energy: -540.941782
where:
bonds (distance) C4'-P energy: -137.193
bonds (distance) P-C4' energy: -156.892
flat angles C4'-P-C4' energy: -128.562
flat angles P-C4'-P energy: -75.003
tors. eta vs tors. theta energy: -43.292
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: 368
Temperature: 1.300000
Total energy: -926.794639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.794639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.794639 (E_RNA)
where:
Base-Base interactions energy: -425.410
where: short stacking energy: -206.264
Base-Backbone interact. energy: -2.130
local terms energy: -499.254646
where:
bonds (distance) C4'-P energy: -157.124
bonds (distance) P-C4' energy: -147.870
flat angles C4'-P-C4' energy: -127.250
flat angles P-C4'-P energy: -95.470
tors. eta vs tors. theta energy: 28.458
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: 4
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -757.572385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.572385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.572385 (E_RNA)
where:
Base-Base interactions energy: -331.102
where: short stacking energy: -202.074
Base-Backbone interact. energy: -1.539
local terms energy: -424.931645
where:
bonds (distance) C4'-P energy: -125.497
bonds (distance) P-C4' energy: -142.850
flat angles C4'-P-C4' energy: -109.833
flat angles P-C4'-P energy: -82.794
tors. eta vs tors. theta energy: 36.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -3040.411596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3040.411596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3040.411596 (E_RNA)
where:
Base-Base interactions energy: -2087.398
where: short stacking energy: -880.301
Base-Backbone interact. energy: -4.016
local terms energy: -948.998092
where:
bonds (distance) C4'-P energy: -164.770
bonds (distance) P-C4' energy: -178.491
flat angles C4'-P-C4' energy: -194.911
flat angles P-C4'-P energy: -146.369
tors. eta vs tors. theta energy: -264.456
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: 10
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -2893.928933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2893.928933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2893.928933 (E_RNA)
where:
Base-Base interactions energy: -1961.304
where: short stacking energy: -849.165
Base-Backbone interact. energy: -3.410
local terms energy: -929.214933
where:
bonds (distance) C4'-P energy: -166.962
bonds (distance) P-C4' energy: -176.749
flat angles C4'-P-C4' energy: -197.447
flat angles P-C4'-P energy: -138.148
tors. eta vs tors. theta energy: -249.908
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: 369
Temperature: 1.000000
Total energy: -2746.128065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2746.128065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2746.128065 (E_RNA)
where:
Base-Base interactions energy: -1931.815
where: short stacking energy: -758.805
Base-Backbone interact. energy: -1.592
local terms energy: -812.720328
where:
bonds (distance) C4'-P energy: -131.243
bonds (distance) P-C4' energy: -179.062
flat angles C4'-P-C4' energy: -173.484
flat angles P-C4'-P energy: -113.455
tors. eta vs tors. theta energy: -215.476
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: 6
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -2643.149624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2643.149624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2643.149624 (E_RNA)
where:
Base-Base interactions energy: -1762.541
where: short stacking energy: -753.370
Base-Backbone interact. energy: -3.967
local terms energy: -876.642034
where:
bonds (distance) C4'-P energy: -158.512
bonds (distance) P-C4' energy: -179.258
flat angles C4'-P-C4' energy: -182.788
flat angles P-C4'-P energy: -131.918
tors. eta vs tors. theta energy: -224.166
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: 5, replica: 1
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -2372.116405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.116405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2372.116405 (E_RNA)
where:
Base-Base interactions energy: -1584.533
where: short stacking energy: -671.081
Base-Backbone interact. energy: -5.381
local terms energy: -782.201975
where:
bonds (distance) C4'-P energy: -142.731
bonds (distance) P-C4' energy: -164.105
flat angles C4'-P-C4' energy: -188.843
flat angles P-C4'-P energy: -112.214
tors. eta vs tors. theta energy: -174.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -2000.054628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.054628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.054628 (E_RNA)
where:
Base-Base interactions energy: -1298.376
where: short stacking energy: -553.786
Base-Backbone interact. energy: -0.886
local terms energy: -700.792078
where:
bonds (distance) C4'-P energy: -124.012
bonds (distance) P-C4' energy: -151.994
flat angles C4'-P-C4' energy: -172.898
flat angles P-C4'-P energy: -114.660
tors. eta vs tors. theta energy: -137.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -1801.962977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.962977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.962977 (E_RNA)
where:
Base-Base interactions energy: -1122.718
where: short stacking energy: -526.965
Base-Backbone interact. energy: -0.912
local terms energy: -678.332553
where:
bonds (distance) C4'-P energy: -160.234
bonds (distance) P-C4' energy: -138.535
flat angles C4'-P-C4' energy: -155.887
flat angles P-C4'-P energy: -105.564
tors. eta vs tors. theta energy: -118.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -1318.143952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.143952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.143952 (E_RNA)
where:
Base-Base interactions energy: -775.551
where: short stacking energy: -358.313
Base-Backbone interact. energy: -0.790
local terms energy: -541.803228
where:
bonds (distance) C4'-P energy: -135.696
bonds (distance) P-C4' energy: -140.650
flat angles C4'-P-C4' energy: -139.802
flat angles P-C4'-P energy: -95.665
tors. eta vs tors. theta energy: -29.990
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: 2
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -1000.067953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.067953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.067953 (E_RNA)
where:
Base-Base interactions energy: -470.514
where: short stacking energy: -286.184
Base-Backbone interact. energy: -0.856
local terms energy: -528.697179
where:
bonds (distance) C4'-P energy: -149.236
bonds (distance) P-C4' energy: -161.146
flat angles C4'-P-C4' energy: -132.626
flat angles P-C4'-P energy: -89.110
tors. eta vs tors. theta energy: 3.422
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: 4
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -727.987408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.987408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.987408 (E_RNA)
where:
Base-Base interactions energy: -277.362
where: short stacking energy: -193.415
Base-Backbone interact. energy: -1.936
local terms energy: -448.688934
where:
bonds (distance) C4'-P energy: -138.678
bonds (distance) P-C4' energy: -144.096
flat angles C4'-P-C4' energy: -115.120
flat angles P-C4'-P energy: -61.423
tors. eta vs tors. theta energy: 10.627
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: 7
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -3046.965730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3046.965730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3046.965730 (E_RNA)
where:
Base-Base interactions energy: -2076.646
where: short stacking energy: -888.659
Base-Backbone interact. energy: -2.753
local terms energy: -967.567397
where:
bonds (distance) C4'-P energy: -181.654
bonds (distance) P-C4' energy: -185.963
flat angles C4'-P-C4' energy: -199.833
flat angles P-C4'-P energy: -136.861
tors. eta vs tors. theta energy: -263.256
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: 10
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -2882.272124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2882.272124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2882.272124 (E_RNA)
where:
Base-Base interactions energy: -1971.153
where: short stacking energy: -853.773
Base-Backbone interact. energy: -2.339
local terms energy: -908.780402
where:
bonds (distance) C4'-P energy: -171.806
bonds (distance) P-C4' energy: -168.435
flat angles C4'-P-C4' energy: -198.085
flat angles P-C4'-P energy: -129.963
tors. eta vs tors. theta energy: -240.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -2776.312897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2776.312897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2776.312897 (E_RNA)
where:
Base-Base interactions energy: -1886.967
where: short stacking energy: -771.240
Base-Backbone interact. energy: -1.446
local terms energy: -887.900729
where:
bonds (distance) C4'-P energy: -165.009
bonds (distance) P-C4' energy: -196.100
flat angles C4'-P-C4' energy: -187.636
flat angles P-C4'-P energy: -108.915
tors. eta vs tors. theta energy: -230.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -2514.807423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2514.807423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2514.807423 (E_RNA)
where:
Base-Base interactions energy: -1684.529
where: short stacking energy: -742.353
Base-Backbone interact. energy: 3.390
local terms energy: -833.668203
where:
bonds (distance) C4'-P energy: -153.746
bonds (distance) P-C4' energy: -159.893
flat angles C4'-P-C4' energy: -170.269
flat angles P-C4'-P energy: -135.839
tors. eta vs tors. theta energy: -213.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -2388.328217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2388.328217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2388.328217 (E_RNA)
where:
Base-Base interactions energy: -1589.706
where: short stacking energy: -733.826
Base-Backbone interact. energy: -2.404
local terms energy: -796.217684
where:
bonds (distance) C4'-P energy: -161.952
bonds (distance) P-C4' energy: -142.965
flat angles C4'-P-C4' energy: -182.015
flat angles P-C4'-P energy: -100.438
tors. eta vs tors. theta energy: -208.847
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: 6, replica: 9
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -1979.303153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1979.303153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.303153 (E_RNA)
where:
Base-Base interactions energy: -1275.464
where: short stacking energy: -572.050
Base-Backbone interact. energy: -0.135
local terms energy: -703.704538
where:
bonds (distance) C4'-P energy: -168.845
bonds (distance) P-C4' energy: -167.369
flat angles C4'-P-C4' energy: -133.931
flat angles P-C4'-P energy: -100.743
tors. eta vs tors. theta energy: -132.816
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: 7, replica: 5
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -1758.484554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.484554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.484554 (E_RNA)
where:
Base-Base interactions energy: -1066.966
where: short stacking energy: -504.872
Base-Backbone interact. energy: -1.436
local terms energy: -690.082141
where:
bonds (distance) C4'-P energy: -142.328
bonds (distance) P-C4' energy: -167.549
flat angles C4'-P-C4' energy: -165.594
flat angles P-C4'-P energy: -105.239
tors. eta vs tors. theta energy: -109.373
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: 8
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -1303.662988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.662988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.662988 (E_RNA)
where:
Base-Base interactions energy: -707.007
where: short stacking energy: -364.145
Base-Backbone interact. energy: -0.819
local terms energy: -595.837650
where:
bonds (distance) C4'-P energy: -140.658
bonds (distance) P-C4' energy: -168.125
flat angles C4'-P-C4' energy: -142.367
flat angles P-C4'-P energy: -91.982
tors. eta vs tors. theta energy: -52.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -1014.009278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.009278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.009278 (E_RNA)
where:
Base-Base interactions energy: -519.989
where: short stacking energy: -279.011
Base-Backbone interact. energy: 2.561
local terms energy: -496.580777
where:
bonds (distance) C4'-P energy: -138.008
bonds (distance) P-C4' energy: -144.162
flat angles C4'-P-C4' energy: -114.323
flat angles P-C4'-P energy: -92.373
tors. eta vs tors. theta energy: -7.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -783.071425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.071425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.071425 (E_RNA)
where:
Base-Base interactions energy: -334.328
where: short stacking energy: -209.159
Base-Backbone interact. energy: -1.946
local terms energy: -446.797488
where:
bonds (distance) C4'-P energy: -117.740
bonds (distance) P-C4' energy: -143.905
flat angles C4'-P-C4' energy: -135.026
flat angles P-C4'-P energy: -71.328
tors. eta vs tors. theta energy: 21.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -3043.093745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3043.093745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3043.093745 (E_RNA)
where:
Base-Base interactions energy: -2092.766
where: short stacking energy: -883.724
Base-Backbone interact. energy: -1.057
local terms energy: -949.270356
where:
bonds (distance) C4'-P energy: -170.287
bonds (distance) P-C4' energy: -185.953
flat angles C4'-P-C4' energy: -203.011
flat angles P-C4'-P energy: -124.633
tors. eta vs tors. theta energy: -265.386
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: 10
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -2917.900324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2917.900324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2917.900324 (E_RNA)
where:
Base-Base interactions energy: -1987.503
where: short stacking energy: -852.073
Base-Backbone interact. energy: -1.196
local terms energy: -929.200804
where:
bonds (distance) C4'-P energy: -163.279
bonds (distance) P-C4' energy: -168.910
flat angles C4'-P-C4' energy: -200.091
flat angles P-C4'-P energy: -134.191
tors. eta vs tors. theta energy: -262.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -2797.582002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2797.582002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2797.582002 (E_RNA)
where:
Base-Base interactions energy: -1913.027
where: short stacking energy: -792.930
Base-Backbone interact. energy: -5.547
local terms energy: -879.008315
where:
bonds (distance) C4'-P energy: -161.476
bonds (distance) P-C4' energy: -175.359
flat angles C4'-P-C4' energy: -193.567
flat angles P-C4'-P energy: -112.513
tors. eta vs tors. theta energy: -236.093
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: 4, replica: 6
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -2499.557759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2499.557759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2499.557759 (E_RNA)
where:
Base-Base interactions energy: -1667.422
where: short stacking energy: -694.018
Base-Backbone interact. energy: -1.659
local terms energy: -830.477017
where:
bonds (distance) C4'-P energy: -153.798
bonds (distance) P-C4' energy: -170.356
flat angles C4'-P-C4' energy: -183.092
flat angles P-C4'-P energy: -123.895
tors. eta vs tors. theta energy: -199.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -2368.501018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2368.501018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2368.501018 (E_RNA)
where:
Base-Base interactions energy: -1567.526
where: short stacking energy: -690.038
Base-Backbone interact. energy: -2.356
local terms energy: -798.618870
where:
bonds (distance) C4'-P energy: -150.317
bonds (distance) P-C4' energy: -167.468
flat angles C4'-P-C4' energy: -181.037
flat angles P-C4'-P energy: -110.633
tors. eta vs tors. theta energy: -189.164
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: 9
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -2013.184563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.184563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.184563 (E_RNA)
where:
Base-Base interactions energy: -1309.953
where: short stacking energy: -570.121
Base-Backbone interact. energy: 1.252
local terms energy: -704.483848
where:
bonds (distance) C4'-P energy: -162.509
bonds (distance) P-C4' energy: -152.858
flat angles C4'-P-C4' energy: -167.543
flat angles P-C4'-P energy: -87.202
tors. eta vs tors. theta energy: -134.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -1773.257043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.257043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.257043 (E_RNA)
where:
Base-Base interactions energy: -1100.271
where: short stacking energy: -517.224
Base-Backbone interact. energy: -3.350
local terms energy: -669.635675
where:
bonds (distance) C4'-P energy: -138.687
bonds (distance) P-C4' energy: -150.875
flat angles C4'-P-C4' energy: -170.591
flat angles P-C4'-P energy: -100.800
tors. eta vs tors. theta energy: -108.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -1278.910835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.910835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.910835 (E_RNA)
where:
Base-Base interactions energy: -698.066
where: short stacking energy: -357.608
Base-Backbone interact. energy: -2.836
local terms energy: -578.008517
where:
bonds (distance) C4'-P energy: -156.640
bonds (distance) P-C4' energy: -160.486
flat angles C4'-P-C4' energy: -117.770
flat angles P-C4'-P energy: -90.627
tors. eta vs tors. theta energy: -52.486
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: 2
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -1026.760007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.760007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.760007 (E_RNA)
where:
Base-Base interactions energy: -506.385
where: short stacking energy: -286.338
Base-Backbone interact. energy: 4.476
local terms energy: -524.850664
where:
bonds (distance) C4'-P energy: -160.903
bonds (distance) P-C4' energy: -150.798
flat angles C4'-P-C4' energy: -123.063
flat angles P-C4'-P energy: -74.486
tors. eta vs tors. theta energy: -15.600
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: 4
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -806.533531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.533531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.533531 (E_RNA)
where:
Base-Base interactions energy: -340.229
where: short stacking energy: -216.783
Base-Backbone interact. energy: 2.293
local terms energy: -468.597038
where:
bonds (distance) C4'-P energy: -163.933
bonds (distance) P-C4' energy: -127.804
flat angles C4'-P-C4' energy: -98.497
flat angles P-C4'-P energy: -80.843
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: 7
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -3030.572121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3030.572121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3030.572121 (E_RNA)
where:
Base-Base interactions energy: -2079.607
where: short stacking energy: -872.512
Base-Backbone interact. energy: -2.107
local terms energy: -948.857454
where:
bonds (distance) C4'-P energy: -169.829
bonds (distance) P-C4' energy: -161.451
flat angles C4'-P-C4' energy: -204.544
flat angles P-C4'-P energy: -142.003
tors. eta vs tors. theta energy: -271.031
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: 372
Temperature: 0.950000
Total energy: -2901.441766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2901.441766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2901.441766 (E_RNA)
where:
Base-Base interactions energy: -1961.731
where: short stacking energy: -846.316
Base-Backbone interact. energy: -7.537
local terms energy: -932.174512
where:
bonds (distance) C4'-P energy: -175.496
bonds (distance) P-C4' energy: -184.951
flat angles C4'-P-C4' energy: -193.254
flat angles P-C4'-P energy: -131.841
tors. eta vs tors. theta energy: -246.632
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: 3, replica: 3
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -2757.106359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2757.106359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2757.106359 (E_RNA)
where:
Base-Base interactions energy: -1896.512
where: short stacking energy: -793.042
Base-Backbone interact. energy: -3.975
local terms energy: -856.618906
where:
bonds (distance) C4'-P energy: -153.055
bonds (distance) P-C4' energy: -177.217
flat angles C4'-P-C4' energy: -187.402
flat angles P-C4'-P energy: -108.022
tors. eta vs tors. theta energy: -230.923
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: 372
Temperature: 1.050000
Total energy: -2510.483288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2510.483288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2510.483288 (E_RNA)
where:
Base-Base interactions energy: -1689.389
where: short stacking energy: -731.293
Base-Backbone interact. energy: -5.572
local terms energy: -815.521673
where:
bonds (distance) C4'-P energy: -148.004
bonds (distance) P-C4' energy: -150.218
flat angles C4'-P-C4' energy: -188.593
flat angles P-C4'-P energy: -128.610
tors. eta vs tors. theta energy: -200.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -2436.236558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2436.236558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2436.236558 (E_RNA)
where:
Base-Base interactions energy: -1634.765
where: short stacking energy: -684.578
Base-Backbone interact. energy: -3.285
local terms energy: -798.186185
where:
bonds (distance) C4'-P energy: -162.811
bonds (distance) P-C4' energy: -139.000
flat angles C4'-P-C4' energy: -190.118
flat angles P-C4'-P energy: -107.440
tors. eta vs tors. theta energy: -198.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -1993.427271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.427271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1993.427271 (E_RNA)
where:
Base-Base interactions energy: -1287.794
where: short stacking energy: -577.645
Base-Backbone interact. energy: -1.128
local terms energy: -704.504660
where:
bonds (distance) C4'-P energy: -147.018
bonds (distance) P-C4' energy: -149.447
flat angles C4'-P-C4' energy: -158.332
flat angles P-C4'-P energy: -112.841
tors. eta vs tors. theta energy: -136.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -1788.371549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.371549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.371549 (E_RNA)
where:
Base-Base interactions energy: -1085.459
where: short stacking energy: -497.972
Base-Backbone interact. energy: -2.718
local terms energy: -700.194901
where:
bonds (distance) C4'-P energy: -163.831
bonds (distance) P-C4' energy: -170.234
flat angles C4'-P-C4' energy: -150.713
flat angles P-C4'-P energy: -89.523
tors. eta vs tors. theta energy: -125.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -1404.093102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.093102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.093102 (E_RNA)
where:
Base-Base interactions energy: -768.069
where: short stacking energy: -368.924
Base-Backbone interact. energy: -0.809
local terms energy: -635.215516
where:
bonds (distance) C4'-P energy: -149.136
bonds (distance) P-C4' energy: -166.925
flat angles C4'-P-C4' energy: -142.690
flat angles P-C4'-P energy: -119.795
tors. eta vs tors. theta energy: -56.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -944.059804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.059804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.059804 (E_RNA)
where:
Base-Base interactions energy: -449.812
where: short stacking energy: -277.862
Base-Backbone interact. energy: 2.066
local terms energy: -496.314155
where:
bonds (distance) C4'-P energy: -131.890
bonds (distance) P-C4' energy: -147.186
flat angles C4'-P-C4' energy: -135.429
flat angles P-C4'-P energy: -84.912
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: 4
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -798.191953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.191953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.191953 (E_RNA)
where:
Base-Base interactions energy: -336.388
where: short stacking energy: -208.903
Base-Backbone interact. energy: 2.426
local terms energy: -464.229845
where:
bonds (distance) C4'-P energy: -168.462
bonds (distance) P-C4' energy: -155.619
flat angles C4'-P-C4' energy: -127.075
flat angles P-C4'-P energy: -44.182
tors. eta vs tors. theta energy: 31.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -3033.474004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3033.474004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3033.474004 (E_RNA)
where:
Base-Base interactions energy: -2083.571
where: short stacking energy: -865.716
Base-Backbone interact. energy: -3.574
local terms energy: -946.328909
where:
bonds (distance) C4'-P energy: -170.597
bonds (distance) P-C4' energy: -189.600
flat angles C4'-P-C4' energy: -202.463
flat angles P-C4'-P energy: -128.667
tors. eta vs tors. theta energy: -255.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -2920.068621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2920.068621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2920.068621 (E_RNA)
where:
Base-Base interactions energy: -1976.771
where: short stacking energy: -831.412
Base-Backbone interact. energy: -5.489
local terms energy: -937.808256
where:
bonds (distance) C4'-P energy: -173.238
bonds (distance) P-C4' energy: -171.901
flat angles C4'-P-C4' energy: -196.405
flat angles P-C4'-P energy: -138.316
tors. eta vs tors. theta energy: -257.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -2719.416729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2719.416729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2719.416729 (E_RNA)
where:
Base-Base interactions energy: -1872.118
where: short stacking energy: -759.752
Base-Backbone interact. energy: -4.873
local terms energy: -842.425465
where:
bonds (distance) C4'-P energy: -158.145
bonds (distance) P-C4' energy: -177.775
flat angles C4'-P-C4' energy: -182.261
flat angles P-C4'-P energy: -102.420
tors. eta vs tors. theta energy: -221.824
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: 6
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -2549.308090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2549.308090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2549.308090 (E_RNA)
where:
Base-Base interactions energy: -1728.223
where: short stacking energy: -735.743
Base-Backbone interact. energy: -5.388
local terms energy: -815.697055
where:
bonds (distance) C4'-P energy: -156.960
bonds (distance) P-C4' energy: -157.705
flat angles C4'-P-C4' energy: -185.367
flat angles P-C4'-P energy: -114.738
tors. eta vs tors. theta energy: -200.927
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: 1
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -2434.802816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2434.802816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2434.802816 (E_RNA)
where:
Base-Base interactions energy: -1636.836
where: short stacking energy: -690.352
Base-Backbone interact. energy: -2.071
local terms energy: -795.896225
where:
bonds (distance) C4'-P energy: -137.890
bonds (distance) P-C4' energy: -158.879
flat angles C4'-P-C4' energy: -186.715
flat angles P-C4'-P energy: -115.915
tors. eta vs tors. theta energy: -196.497
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: 9
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -2000.041387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.041387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.041387 (E_RNA)
where:
Base-Base interactions energy: -1300.145
where: short stacking energy: -558.342
Base-Backbone interact. energy: -0.719
local terms energy: -699.177513
where:
bonds (distance) C4'-P energy: -161.240
bonds (distance) P-C4' energy: -146.221
flat angles C4'-P-C4' energy: -165.577
flat angles P-C4'-P energy: -108.547
tors. eta vs tors. theta energy: -117.592
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: 5
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -1713.370970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.370970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.370970 (E_RNA)
where:
Base-Base interactions energy: -1044.892
where: short stacking energy: -471.107
Base-Backbone interact. energy: -0.304
local terms energy: -668.174588
where:
bonds (distance) C4'-P energy: -156.400
bonds (distance) P-C4' energy: -171.855
flat angles C4'-P-C4' energy: -154.643
flat angles P-C4'-P energy: -76.111
tors. eta vs tors. theta energy: -109.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -1407.973236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.973236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.973236 (E_RNA)
where:
Base-Base interactions energy: -840.281
where: short stacking energy: -382.434
Base-Backbone interact. energy: 0.968
local terms energy: -568.660241
where:
bonds (distance) C4'-P energy: -156.859
bonds (distance) P-C4' energy: -141.991
flat angles C4'-P-C4' energy: -150.297
flat angles P-C4'-P energy: -68.111
tors. eta vs tors. theta energy: -51.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -1067.873581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.873581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.873581 (E_RNA)
where:
Base-Base interactions energy: -574.479
where: short stacking energy: -289.462
Base-Backbone interact. energy: -4.474
local terms energy: -488.921167
where:
bonds (distance) C4'-P energy: -127.952
bonds (distance) P-C4' energy: -143.071
flat angles C4'-P-C4' energy: -130.221
flat angles P-C4'-P energy: -80.208
tors. eta vs tors. theta energy: -7.469
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: 4
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -854.018315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.018315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.018315 (E_RNA)
where:
Base-Base interactions energy: -374.175
where: short stacking energy: -239.456
Base-Backbone interact. energy: 1.959
local terms energy: -481.802400
where:
bonds (distance) C4'-P energy: -155.543
bonds (distance) P-C4' energy: -145.598
flat angles C4'-P-C4' energy: -111.879
flat angles P-C4'-P energy: -78.051
tors. eta vs tors. theta energy: 9.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -3041.192768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3041.192768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3041.192768 (E_RNA)
where:
Base-Base interactions energy: -2103.011
where: short stacking energy: -850.027
Base-Backbone interact. energy: -2.885
local terms energy: -935.296356
where:
bonds (distance) C4'-P energy: -175.848
bonds (distance) P-C4' energy: -176.849
flat angles C4'-P-C4' energy: -200.779
flat angles P-C4'-P energy: -131.669
tors. eta vs tors. theta energy: -250.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -2952.361765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2952.361765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2952.361765 (E_RNA)
where:
Base-Base interactions energy: -2017.449
where: short stacking energy: -840.801
Base-Backbone interact. energy: -4.746
local terms energy: -930.166321
where:
bonds (distance) C4'-P energy: -164.616
bonds (distance) P-C4' energy: -173.222
flat angles C4'-P-C4' energy: -205.380
flat angles P-C4'-P energy: -131.774
tors. eta vs tors. theta energy: -255.174
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: 3, replica: 3
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -2702.354848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2702.354848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2702.354848 (E_RNA)
where:
Base-Base interactions energy: -1873.126
where: short stacking energy: -777.816
Base-Backbone interact. energy: 1.330
local terms energy: -830.558791
where:
bonds (distance) C4'-P energy: -157.194
bonds (distance) P-C4' energy: -168.636
flat angles C4'-P-C4' energy: -186.530
flat angles P-C4'-P energy: -101.150
tors. eta vs tors. theta energy: -217.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -2517.256276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2517.256276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2517.256276 (E_RNA)
where:
Base-Base interactions energy: -1668.371
where: short stacking energy: -736.197
Base-Backbone interact. energy: -1.264
local terms energy: -847.621679
where:
bonds (distance) C4'-P energy: -151.264
bonds (distance) P-C4' energy: -170.394
flat angles C4'-P-C4' energy: -196.906
flat angles P-C4'-P energy: -113.088
tors. eta vs tors. theta energy: -215.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -2401.278330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2401.278330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2401.278330 (E_RNA)
where:
Base-Base interactions energy: -1587.829
where: short stacking energy: -675.968
Base-Backbone interact. energy: -3.467
local terms energy: -809.982618
where:
bonds (distance) C4'-P energy: -152.631
bonds (distance) P-C4' energy: -165.731
flat angles C4'-P-C4' energy: -169.404
flat angles P-C4'-P energy: -107.390
tors. eta vs tors. theta energy: -214.827
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: 374
Temperature: 1.150000
Total energy: -2036.821480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.821480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.821480 (E_RNA)
where:
Base-Base interactions energy: -1341.710
where: short stacking energy: -580.349
Base-Backbone interact. energy: 0.700
local terms energy: -695.811535
where:
bonds (distance) C4'-P energy: -144.967
bonds (distance) P-C4' energy: -144.719
flat angles C4'-P-C4' energy: -158.195
flat angles P-C4'-P energy: -105.771
tors. eta vs tors. theta energy: -142.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -1753.717189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.717189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.717189 (E_RNA)
where:
Base-Base interactions energy: -1082.910
where: short stacking energy: -539.325
Base-Backbone interact. energy: 1.685
local terms energy: -672.492237
where:
bonds (distance) C4'-P energy: -148.020
bonds (distance) P-C4' energy: -163.416
flat angles C4'-P-C4' energy: -167.985
flat angles P-C4'-P energy: -82.073
tors. eta vs tors. theta energy: -110.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -1294.513065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.513065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.513065 (E_RNA)
where:
Base-Base interactions energy: -718.194
where: short stacking energy: -338.998
Base-Backbone interact. energy: 6.439
local terms energy: -582.758507
where:
bonds (distance) C4'-P energy: -138.545
bonds (distance) P-C4' energy: -168.121
flat angles C4'-P-C4' energy: -141.618
flat angles P-C4'-P energy: -87.449
tors. eta vs tors. theta energy: -47.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -996.463062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.463062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.463062 (E_RNA)
where:
Base-Base interactions energy: -486.612
where: short stacking energy: -272.543
Base-Backbone interact. energy: 12.284
local terms energy: -522.134505
where:
bonds (distance) C4'-P energy: -141.855
bonds (distance) P-C4' energy: -152.555
flat angles C4'-P-C4' energy: -123.854
flat angles P-C4'-P energy: -98.055
tors. eta vs tors. theta energy: -5.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -790.896641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.896641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.896641 (E_RNA)
where:
Base-Base interactions energy: -357.405
where: short stacking energy: -223.420
Base-Backbone interact. energy: -2.445
local terms energy: -431.046581
where:
bonds (distance) C4'-P energy: -138.343
bonds (distance) P-C4' energy: -122.751
flat angles C4'-P-C4' energy: -128.568
flat angles P-C4'-P energy: -57.511
tors. eta vs tors. theta energy: 16.127
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: 7
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -3058.788501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3058.788501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3058.788501 (E_RNA)
where:
Base-Base interactions energy: -2104.154
where: short stacking energy: -873.818
Base-Backbone interact. energy: -4.823
local terms energy: -949.810974
where:
bonds (distance) C4'-P energy: -167.443
bonds (distance) P-C4' energy: -161.504
flat angles C4'-P-C4' energy: -209.064
flat angles P-C4'-P energy: -131.334
tors. eta vs tors. theta energy: -280.466
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: 2, replica: 10
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -2900.460169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2900.460169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2900.460169 (E_RNA)
where:
Base-Base interactions energy: -1963.946
where: short stacking energy: -871.596
Base-Backbone interact. energy: -0.699
local terms energy: -935.814846
where:
bonds (distance) C4'-P energy: -166.735
bonds (distance) P-C4' energy: -186.643
flat angles C4'-P-C4' energy: -195.734
flat angles P-C4'-P energy: -129.686
tors. eta vs tors. theta energy: -257.017
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: 3
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -2707.401705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2707.401705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2707.401705 (E_RNA)
where:
Base-Base interactions energy: -1860.840
where: short stacking energy: -755.814
Base-Backbone interact. energy: 0.300
local terms energy: -846.862425
where:
bonds (distance) C4'-P energy: -166.932
bonds (distance) P-C4' energy: -175.139
flat angles C4'-P-C4' energy: -178.693
flat angles P-C4'-P energy: -111.677
tors. eta vs tors. theta energy: -214.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -2519.579678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2519.579678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2519.579678 (E_RNA)
where:
Base-Base interactions energy: -1686.891
where: short stacking energy: -715.966
Base-Backbone interact. energy: -2.612
local terms energy: -830.076390
where:
bonds (distance) C4'-P energy: -160.365
bonds (distance) P-C4' energy: -174.997
flat angles C4'-P-C4' energy: -182.387
flat angles P-C4'-P energy: -109.126
tors. eta vs tors. theta energy: -203.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -2390.884667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2390.884667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2390.884667 (E_RNA)
where:
Base-Base interactions energy: -1585.414
where: short stacking energy: -655.598
Base-Backbone interact. energy: -4.244
local terms energy: -801.226559
where:
bonds (distance) C4'-P energy: -163.366
bonds (distance) P-C4' energy: -168.812
flat angles C4'-P-C4' energy: -167.563
flat angles P-C4'-P energy: -105.625
tors. eta vs tors. theta energy: -195.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -2064.901724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.901724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.901724 (E_RNA)
where:
Base-Base interactions energy: -1326.250
where: short stacking energy: -587.225
Base-Backbone interact. energy: -0.863
local terms energy: -737.788744
where:
bonds (distance) C4'-P energy: -166.151
bonds (distance) P-C4' energy: -162.460
flat angles C4'-P-C4' energy: -157.690
flat angles P-C4'-P energy: -97.486
tors. eta vs tors. theta energy: -154.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -1764.471559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.471559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.471559 (E_RNA)
where:
Base-Base interactions energy: -1089.666
where: short stacking energy: -533.790
Base-Backbone interact. energy: -2.107
local terms energy: -672.698379
where:
bonds (distance) C4'-P energy: -149.268
bonds (distance) P-C4' energy: -144.942
flat angles C4'-P-C4' energy: -156.373
flat angles P-C4'-P energy: -100.285
tors. eta vs tors. theta energy: -121.831
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: 8
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -1294.287061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.287061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.287061 (E_RNA)
where:
Base-Base interactions energy: -731.522
where: short stacking energy: -352.685
Base-Backbone interact. energy: -2.976
local terms energy: -559.789368
where:
bonds (distance) C4'-P energy: -141.017
bonds (distance) P-C4' energy: -150.902
flat angles C4'-P-C4' energy: -125.888
flat angles P-C4'-P energy: -87.239
tors. eta vs tors. theta energy: -54.745
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: 375
Temperature: 1.300000
Total energy: -944.662622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.662622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.662622 (E_RNA)
where:
Base-Base interactions energy: -440.233
where: short stacking energy: -262.530
Base-Backbone interact. energy: -4.210
local terms energy: -500.219803
where:
bonds (distance) C4'-P energy: -133.126
bonds (distance) P-C4' energy: -160.098
flat angles C4'-P-C4' energy: -132.028
flat angles P-C4'-P energy: -81.073
tors. eta vs tors. theta energy: 6.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -866.252262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.252262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.252262 (E_RNA)
where:
Base-Base interactions energy: -429.177
where: short stacking energy: -262.668
Base-Backbone interact. energy: 10.486
local terms energy: -447.561823
where:
bonds (distance) C4'-P energy: -138.499
bonds (distance) P-C4' energy: -157.950
flat angles C4'-P-C4' energy: -114.317
flat angles P-C4'-P energy: -33.227
tors. eta vs tors. theta energy: -3.570
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: 7
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -3029.059623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3029.059623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3029.059623 (E_RNA)
where:
Base-Base interactions energy: -2089.084
where: short stacking energy: -860.405
Base-Backbone interact. energy: -3.782
local terms energy: -936.193519
where:
bonds (distance) C4'-P energy: -173.135
bonds (distance) P-C4' energy: -178.452
flat angles C4'-P-C4' energy: -190.523
flat angles P-C4'-P energy: -128.311
tors. eta vs tors. theta energy: -265.773
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: 10
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -2882.670055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2882.670055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2882.670055 (E_RNA)
where:
Base-Base interactions energy: -1965.918
where: short stacking energy: -864.256
Base-Backbone interact. energy: -1.665
local terms energy: -915.087606
where:
bonds (distance) C4'-P energy: -160.851
bonds (distance) P-C4' energy: -168.953
flat angles C4'-P-C4' energy: -200.329
flat angles P-C4'-P energy: -126.617
tors. eta vs tors. theta energy: -258.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -2709.435011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2709.435011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2709.435011 (E_RNA)
where:
Base-Base interactions energy: -1862.886
where: short stacking energy: -754.198
Base-Backbone interact. energy: -3.788
local terms energy: -842.761671
where:
bonds (distance) C4'-P energy: -146.224
bonds (distance) P-C4' energy: -171.506
flat angles C4'-P-C4' energy: -187.337
flat angles P-C4'-P energy: -121.955
tors. eta vs tors. theta energy: -215.739
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: 4, replica: 6
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -2590.708536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2590.708536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2590.708536 (E_RNA)
where:
Base-Base interactions energy: -1721.224
where: short stacking energy: -753.507
Base-Backbone interact. energy: -4.049
local terms energy: -865.435649
where:
bonds (distance) C4'-P energy: -159.893
bonds (distance) P-C4' energy: -168.433
flat angles C4'-P-C4' energy: -187.671
flat angles P-C4'-P energy: -117.370
tors. eta vs tors. theta energy: -232.069
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: 5, replica: 1
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -2410.716849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2410.716849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2410.716849 (E_RNA)
where:
Base-Base interactions energy: -1605.926
where: short stacking energy: -692.004
Base-Backbone interact. energy: 2.761
local terms energy: -807.551548
where:
bonds (distance) C4'-P energy: -145.686
bonds (distance) P-C4' energy: -152.397
flat angles C4'-P-C4' energy: -190.186
flat angles P-C4'-P energy: -117.925
tors. eta vs tors. theta energy: -201.358
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: 9
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -2128.107648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2128.107648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2128.107648 (E_RNA)
where:
Base-Base interactions energy: -1407.193
where: short stacking energy: -605.479
Base-Backbone interact. energy: -4.668
local terms energy: -716.246726
where:
bonds (distance) C4'-P energy: -139.550
bonds (distance) P-C4' energy: -149.817
flat angles C4'-P-C4' energy: -164.005
flat angles P-C4'-P energy: -100.402
tors. eta vs tors. theta energy: -162.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -1734.201284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.201284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.201284 (E_RNA)
where:
Base-Base interactions energy: -1080.547
where: short stacking energy: -507.285
Base-Backbone interact. energy: -0.352
local terms energy: -653.302589
where:
bonds (distance) C4'-P energy: -139.618
bonds (distance) P-C4' energy: -139.331
flat angles C4'-P-C4' energy: -164.006
flat angles P-C4'-P energy: -85.187
tors. eta vs tors. theta energy: -125.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -1348.014526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.014526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.014526 (E_RNA)
where:
Base-Base interactions energy: -763.495
where: short stacking energy: -385.734
Base-Backbone interact. energy: -1.389
local terms energy: -583.130318
where:
bonds (distance) C4'-P energy: -133.922
bonds (distance) P-C4' energy: -149.263
flat angles C4'-P-C4' energy: -149.165
flat angles P-C4'-P energy: -109.001
tors. eta vs tors. theta energy: -41.779
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: 4
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -882.227519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.227519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.227519 (E_RNA)
where:
Base-Base interactions energy: -419.755
where: short stacking energy: -276.718
Base-Backbone interact. energy: 2.208
local terms energy: -464.680513
where:
bonds (distance) C4'-P energy: -142.836
bonds (distance) P-C4' energy: -143.317
flat angles C4'-P-C4' energy: -117.635
flat angles P-C4'-P energy: -64.496
tors. eta vs tors. theta energy: 3.605
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: 10, replica: 2
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -888.946058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.946058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.946058 (E_RNA)
where:
Base-Base interactions energy: -414.186
where: short stacking energy: -238.350
Base-Backbone interact. energy: -1.616
local terms energy: -473.144331
where:
bonds (distance) C4'-P energy: -146.946
bonds (distance) P-C4' energy: -143.890
flat angles C4'-P-C4' energy: -136.622
flat angles P-C4'-P energy: -55.079
tors. eta vs tors. theta energy: 9.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -2999.998898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2999.998898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2999.998898 (E_RNA)
where:
Base-Base interactions energy: -2047.544
where: short stacking energy: -844.979
Base-Backbone interact. energy: -0.803
local terms energy: -951.651470
where:
bonds (distance) C4'-P energy: -165.428
bonds (distance) P-C4' energy: -182.866
flat angles C4'-P-C4' energy: -199.812
flat angles P-C4'-P energy: -137.328
tors. eta vs tors. theta energy: -266.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -2885.558697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2885.558697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2885.558697 (E_RNA)
where:
Base-Base interactions energy: -1996.027
where: short stacking energy: -846.880
Base-Backbone interact. energy: -2.477
local terms energy: -887.054951
where:
bonds (distance) C4'-P energy: -156.785
bonds (distance) P-C4' energy: -171.160
flat angles C4'-P-C4' energy: -194.003
flat angles P-C4'-P energy: -120.185
tors. eta vs tors. theta energy: -244.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -2758.591928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2758.591928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2758.591928 (E_RNA)
where:
Base-Base interactions energy: -1871.223
where: short stacking energy: -772.018
Base-Backbone interact. energy: -2.409
local terms energy: -884.960460
where:
bonds (distance) C4'-P energy: -172.210
bonds (distance) P-C4' energy: -173.578
flat angles C4'-P-C4' energy: -184.342
flat angles P-C4'-P energy: -137.544
tors. eta vs tors. theta energy: -217.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -2642.407274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2642.407274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2642.407274 (E_RNA)
where:
Base-Base interactions energy: -1770.937
where: short stacking energy: -774.020
Base-Backbone interact. energy: 0.735
local terms energy: -872.204963
where:
bonds (distance) C4'-P energy: -167.196
bonds (distance) P-C4' energy: -161.637
flat angles C4'-P-C4' energy: -186.237
flat angles P-C4'-P energy: -119.969
tors. eta vs tors. theta energy: -237.166
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: 5, replica: 1
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -2479.083910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2479.083910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2479.083910 (E_RNA)
where:
Base-Base interactions energy: -1668.694
where: short stacking energy: -692.754
Base-Backbone interact. energy: 0.035
local terms energy: -810.425111
where:
bonds (distance) C4'-P energy: -135.973
bonds (distance) P-C4' energy: -155.996
flat angles C4'-P-C4' energy: -195.288
flat angles P-C4'-P energy: -122.140
tors. eta vs tors. theta energy: -201.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -2051.762794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.762794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2051.762794 (E_RNA)
where:
Base-Base interactions energy: -1343.939
where: short stacking energy: -622.612
Base-Backbone interact. energy: -2.258
local terms energy: -705.565499
where:
bonds (distance) C4'-P energy: -142.301
bonds (distance) P-C4' energy: -142.096
flat angles C4'-P-C4' energy: -147.759
flat angles P-C4'-P energy: -100.413
tors. eta vs tors. theta energy: -172.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -1763.524322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.524322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.524322 (E_RNA)
where:
Base-Base interactions energy: -1113.038
where: short stacking energy: -541.862
Base-Backbone interact. energy: 11.169
local terms energy: -661.655046
where:
bonds (distance) C4'-P energy: -155.370
bonds (distance) P-C4' energy: -149.745
flat angles C4'-P-C4' energy: -142.664
flat angles P-C4'-P energy: -102.636
tors. eta vs tors. theta energy: -111.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -1354.220153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.220153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.220153 (E_RNA)
where:
Base-Base interactions energy: -786.941
where: short stacking energy: -390.378
Base-Backbone interact. energy: 2.354
local terms energy: -569.632810
where:
bonds (distance) C4'-P energy: -151.247
bonds (distance) P-C4' energy: -144.296
flat angles C4'-P-C4' energy: -153.142
flat angles P-C4'-P energy: -79.750
tors. eta vs tors. theta energy: -41.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -813.952288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.952288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.952288 (E_RNA)
where:
Base-Base interactions energy: -365.299
where: short stacking energy: -225.709
Base-Backbone interact. energy: 8.867
local terms energy: -457.519393
where:
bonds (distance) C4'-P energy: -137.743
bonds (distance) P-C4' energy: -142.506
flat angles C4'-P-C4' energy: -144.762
flat angles P-C4'-P energy: -52.602
tors. eta vs tors. theta energy: 20.094
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: 377
Temperature: 1.350000
Total energy: -922.989044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.989044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.989044 (E_RNA)
where:
Base-Base interactions energy: -443.153
where: short stacking energy: -253.003
Base-Backbone interact. energy: -4.402
local terms energy: -475.434292
where:
bonds (distance) C4'-P energy: -141.496
bonds (distance) P-C4' energy: -140.484
flat angles C4'-P-C4' energy: -130.708
flat angles P-C4'-P energy: -57.183
tors. eta vs tors. theta energy: -5.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -3006.754873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3006.754873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3006.754873 (E_RNA)
where:
Base-Base interactions energy: -2049.403
where: short stacking energy: -840.211
Base-Backbone interact. energy: -2.562
local terms energy: -954.790169
where:
bonds (distance) C4'-P energy: -177.105
bonds (distance) P-C4' energy: -192.392
flat angles C4'-P-C4' energy: -202.409
flat angles P-C4'-P energy: -127.287
tors. eta vs tors. theta energy: -255.598
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: 378
Temperature: 0.950000
Total energy: -2873.190751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2873.190751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2873.190751 (E_RNA)
where:
Base-Base interactions energy: -1968.071
where: short stacking energy: -846.115
Base-Backbone interact. energy: -1.052
local terms energy: -904.068117
where:
bonds (distance) C4'-P energy: -150.731
bonds (distance) P-C4' energy: -178.963
flat angles C4'-P-C4' energy: -198.417
flat angles P-C4'-P energy: -125.220
tors. eta vs tors. theta energy: -250.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -2808.906208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2808.906208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2808.906208 (E_RNA)
where:
Base-Base interactions energy: -1926.062
where: short stacking energy: -775.692
Base-Backbone interact. energy: -0.527
local terms energy: -882.317437
where:
bonds (distance) C4'-P energy: -162.059
bonds (distance) P-C4' energy: -170.188
flat angles C4'-P-C4' energy: -193.185
flat angles P-C4'-P energy: -124.861
tors. eta vs tors. theta energy: -232.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -2594.448538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.448538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2594.448538 (E_RNA)
where:
Base-Base interactions energy: -1734.927
where: short stacking energy: -726.772
Base-Backbone interact. energy: -1.844
local terms energy: -857.677606
where:
bonds (distance) C4'-P energy: -158.575
bonds (distance) P-C4' energy: -172.204
flat angles C4'-P-C4' energy: -191.936
flat angles P-C4'-P energy: -109.606
tors. eta vs tors. theta energy: -225.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -2478.944935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2478.944935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2478.944935 (E_RNA)
where:
Base-Base interactions energy: -1689.812
where: short stacking energy: -719.381
Base-Backbone interact. energy: -0.650
local terms energy: -788.483224
where:
bonds (distance) C4'-P energy: -141.623
bonds (distance) P-C4' energy: -169.303
flat angles C4'-P-C4' energy: -166.501
flat angles P-C4'-P energy: -105.664
tors. eta vs tors. theta energy: -205.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -2060.346110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.346110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.346110 (E_RNA)
where:
Base-Base interactions energy: -1307.155
where: short stacking energy: -563.738
Base-Backbone interact. energy: -0.176
local terms energy: -753.015033
where:
bonds (distance) C4'-P energy: -158.402
bonds (distance) P-C4' energy: -179.632
flat angles C4'-P-C4' energy: -172.496
flat angles P-C4'-P energy: -90.316
tors. eta vs tors. theta energy: -152.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -1760.320443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.320443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.320443 (E_RNA)
where:
Base-Base interactions energy: -1086.657
where: short stacking energy: -492.387
Base-Backbone interact. energy: 0.589
local terms energy: -674.251957
where:
bonds (distance) C4'-P energy: -145.004
bonds (distance) P-C4' energy: -158.808
flat angles C4'-P-C4' energy: -160.400
flat angles P-C4'-P energy: -93.423
tors. eta vs tors. theta energy: -116.617
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: 8
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -1311.449925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.449925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.449925 (E_RNA)
where:
Base-Base interactions energy: -754.914
where: short stacking energy: -377.536
Base-Backbone interact. energy: 5.804
local terms energy: -562.339559
where:
bonds (distance) C4'-P energy: -144.728
bonds (distance) P-C4' energy: -173.628
flat angles C4'-P-C4' energy: -121.503
flat angles P-C4'-P energy: -72.599
tors. eta vs tors. theta energy: -49.882
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: 2
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -1052.782495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.782495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.782495 (E_RNA)
where:
Base-Base interactions energy: -552.255
where: short stacking energy: -286.992
Base-Backbone interact. energy: -3.303
local terms energy: -497.225239
where:
bonds (distance) C4'-P energy: -140.164
bonds (distance) P-C4' energy: -135.230
flat angles C4'-P-C4' energy: -128.385
flat angles P-C4'-P energy: -86.110
tors. eta vs tors. theta energy: -7.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -819.117613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.117613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.117613 (E_RNA)
where:
Base-Base interactions energy: -366.561
where: short stacking energy: -204.004
Base-Backbone interact. energy: 16.318
local terms energy: -468.874901
where:
bonds (distance) C4'-P energy: -141.073
bonds (distance) P-C4' energy: -147.613
flat angles C4'-P-C4' energy: -124.394
flat angles P-C4'-P energy: -78.312
tors. eta vs tors. theta energy: 22.518
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: 1, replica: 7
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -3025.239749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3025.239749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3025.239749 (E_RNA)
where:
Base-Base interactions energy: -2067.228
where: short stacking energy: -868.691
Base-Backbone interact. energy: 0.768
local terms energy: -958.780568
where:
bonds (distance) C4'-P energy: -174.180
bonds (distance) P-C4' energy: -174.001
flat angles C4'-P-C4' energy: -201.583
flat angles P-C4'-P energy: -140.294
tors. eta vs tors. theta energy: -268.722
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: 2, replica: 10
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -2876.659605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2876.659605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2876.659605 (E_RNA)
where:
Base-Base interactions energy: -1975.362
where: short stacking energy: -841.266
Base-Backbone interact. energy: -4.118
local terms energy: -897.179672
where:
bonds (distance) C4'-P energy: -163.806
bonds (distance) P-C4' energy: -175.569
flat angles C4'-P-C4' energy: -202.199
flat angles P-C4'-P energy: -108.380
tors. eta vs tors. theta energy: -247.226
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: 3
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -2754.974626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2754.974626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2754.974626 (E_RNA)
where:
Base-Base interactions energy: -1863.282
where: short stacking energy: -743.923
Base-Backbone interact. energy: -0.227
local terms energy: -891.465920
where:
bonds (distance) C4'-P energy: -171.756
bonds (distance) P-C4' energy: -179.368
flat angles C4'-P-C4' energy: -186.454
flat angles P-C4'-P energy: -127.431
tors. eta vs tors. theta energy: -226.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -2582.494368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2582.494368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2582.494368 (E_RNA)
where:
Base-Base interactions energy: -1705.089
where: short stacking energy: -747.144
Base-Backbone interact. energy: -3.754
local terms energy: -873.651344
where:
bonds (distance) C4'-P energy: -173.124
bonds (distance) P-C4' energy: -167.486
flat angles C4'-P-C4' energy: -192.708
flat angles P-C4'-P energy: -110.922
tors. eta vs tors. theta energy: -229.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -2482.866206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2482.866206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2482.866206 (E_RNA)
where:
Base-Base interactions energy: -1688.676
where: short stacking energy: -712.770
Base-Backbone interact. energy: 3.781
local terms energy: -797.971766
where:
bonds (distance) C4'-P energy: -152.627
bonds (distance) P-C4' energy: -171.994
flat angles C4'-P-C4' energy: -167.453
flat angles P-C4'-P energy: -109.112
tors. eta vs tors. theta energy: -196.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -1990.925103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.925103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.925103 (E_RNA)
where:
Base-Base interactions energy: -1286.720
where: short stacking energy: -559.215
Base-Backbone interact. energy: -4.660
local terms energy: -699.545523
where:
bonds (distance) C4'-P energy: -145.429
bonds (distance) P-C4' energy: -160.001
flat angles C4'-P-C4' energy: -160.988
flat angles P-C4'-P energy: -97.877
tors. eta vs tors. theta energy: -135.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -1777.827392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.827392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.827392 (E_RNA)
where:
Base-Base interactions energy: -1104.148
where: short stacking energy: -500.233
Base-Backbone interact. energy: -0.565
local terms energy: -673.114694
where:
bonds (distance) C4'-P energy: -145.820
bonds (distance) P-C4' energy: -149.610
flat angles C4'-P-C4' energy: -158.631
flat angles P-C4'-P energy: -87.285
tors. eta vs tors. theta energy: -131.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -1361.895223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.895223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.895223 (E_RNA)
where:
Base-Base interactions energy: -790.943
where: short stacking energy: -384.373
Base-Backbone interact. energy: 1.283
local terms energy: -572.235451
where:
bonds (distance) C4'-P energy: -131.379
bonds (distance) P-C4' energy: -152.912
flat angles C4'-P-C4' energy: -142.748
flat angles P-C4'-P energy: -89.859
tors. eta vs tors. theta energy: -55.338
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: 9, replica: 2
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -1085.314263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.314263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.314263 (E_RNA)
where:
Base-Base interactions energy: -565.677
where: short stacking energy: -273.451
Base-Backbone interact. energy: 2.882
local terms energy: -522.519521
where:
bonds (distance) C4'-P energy: -134.529
bonds (distance) P-C4' energy: -164.635
flat angles C4'-P-C4' energy: -137.743
flat angles P-C4'-P energy: -78.484
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: 10, replica: 4
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -873.627001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.627001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.627001 (E_RNA)
where:
Base-Base interactions energy: -410.364
where: short stacking energy: -222.322
Base-Backbone interact. energy: 0.400
local terms energy: -463.663521
where:
bonds (distance) C4'-P energy: -132.007
bonds (distance) P-C4' energy: -154.963
flat angles C4'-P-C4' energy: -118.125
flat angles P-C4'-P energy: -74.680
tors. eta vs tors. theta energy: 16.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -3026.920140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3026.920140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3026.920140 (E_RNA)
where:
Base-Base interactions energy: -2082.730
where: short stacking energy: -891.507
Base-Backbone interact. energy: -4.009
local terms energy: -940.180693
where:
bonds (distance) C4'-P energy: -178.379
bonds (distance) P-C4' energy: -165.164
flat angles C4'-P-C4' energy: -201.332
flat angles P-C4'-P energy: -143.143
tors. eta vs tors. theta energy: -252.162
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: 10
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -2929.383809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2929.383809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2929.383809 (E_RNA)
where:
Base-Base interactions energy: -2009.301
where: short stacking energy: -863.228
Base-Backbone interact. energy: -5.395
local terms energy: -914.687914
where:
bonds (distance) C4'-P energy: -163.928
bonds (distance) P-C4' energy: -179.712
flat angles C4'-P-C4' energy: -200.234
flat angles P-C4'-P energy: -119.475
tors. eta vs tors. theta energy: -251.339
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: 3
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -2727.491023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2727.491023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2727.491023 (E_RNA)
where:
Base-Base interactions energy: -1854.892
where: short stacking energy: -751.135
Base-Backbone interact. energy: 4.967
local terms energy: -877.565375
where:
bonds (distance) C4'-P energy: -172.452
bonds (distance) P-C4' energy: -173.385
flat angles C4'-P-C4' energy: -187.806
flat angles P-C4'-P energy: -119.324
tors. eta vs tors. theta energy: -224.598
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: 4, replica: 6
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -2587.259073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2587.259073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2587.259073 (E_RNA)
where:
Base-Base interactions energy: -1724.625
where: short stacking energy: -761.223
Base-Backbone interact. energy: -0.315
local terms energy: -862.319207
where:
bonds (distance) C4'-P energy: -161.908
bonds (distance) P-C4' energy: -168.546
flat angles C4'-P-C4' energy: -190.272
flat angles P-C4'-P energy: -109.120
tors. eta vs tors. theta energy: -232.473
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: 380
Temperature: 1.100000
Total energy: -2566.965036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.965036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2566.965036 (E_RNA)
where:
Base-Base interactions energy: -1766.602
where: short stacking energy: -721.142
Base-Backbone interact. energy: -2.189
local terms energy: -798.174814
where:
bonds (distance) C4'-P energy: -161.507
bonds (distance) P-C4' energy: -130.309
flat angles C4'-P-C4' energy: -174.469
flat angles P-C4'-P energy: -108.843
tors. eta vs tors. theta energy: -223.046
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: 9
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -2050.163345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.163345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.163345 (E_RNA)
where:
Base-Base interactions energy: -1321.298
where: short stacking energy: -560.058
Base-Backbone interact. energy: 1.499
local terms energy: -730.363700
where:
bonds (distance) C4'-P energy: -160.915
bonds (distance) P-C4' energy: -160.590
flat angles C4'-P-C4' energy: -153.762
flat angles P-C4'-P energy: -112.508
tors. eta vs tors. theta energy: -142.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -1813.378204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.378204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.378204 (E_RNA)
where:
Base-Base interactions energy: -1153.516
where: short stacking energy: -564.968
Base-Backbone interact. energy: -2.367
local terms energy: -657.495358
where:
bonds (distance) C4'-P energy: -128.571
bonds (distance) P-C4' energy: -148.631
flat angles C4'-P-C4' energy: -154.459
flat angles P-C4'-P energy: -99.145
tors. eta vs tors. theta energy: -126.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -1273.280956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.280956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.280956 (E_RNA)
where:
Base-Base interactions energy: -760.851
where: short stacking energy: -376.872
Base-Backbone interact. energy: -0.327
local terms energy: -512.103036
where:
bonds (distance) C4'-P energy: -110.675
bonds (distance) P-C4' energy: -157.415
flat angles C4'-P-C4' energy: -145.457
flat angles P-C4'-P energy: -57.389
tors. eta vs tors. theta energy: -41.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -1011.436877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.436877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.436877 (E_RNA)
where:
Base-Base interactions energy: -510.516
where: short stacking energy: -282.076
Base-Backbone interact. energy: 5.038
local terms energy: -505.958182
where:
bonds (distance) C4'-P energy: -117.141
bonds (distance) P-C4' energy: -150.973
flat angles C4'-P-C4' energy: -133.220
flat angles P-C4'-P energy: -104.725
tors. eta vs tors. theta energy: 0.101
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: 10, replica: 4
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -884.842327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.842327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.842327 (E_RNA)
where:
Base-Base interactions energy: -422.483
where: short stacking energy: -247.701
Base-Backbone interact. energy: -2.623
local terms energy: -459.736789
where:
bonds (distance) C4'-P energy: -138.618
bonds (distance) P-C4' energy: -133.747
flat angles C4'-P-C4' energy: -111.122
flat angles P-C4'-P energy: -81.418
tors. eta vs tors. theta energy: 5.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -3014.650581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3014.650581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3014.650581 (E_RNA)
where:
Base-Base interactions energy: -2074.479
where: short stacking energy: -881.184
Base-Backbone interact. energy: -2.185
local terms energy: -937.986695
where:
bonds (distance) C4'-P energy: -167.189
bonds (distance) P-C4' energy: -186.549
flat angles C4'-P-C4' energy: -194.840
flat angles P-C4'-P energy: -124.922
tors. eta vs tors. theta energy: -264.487
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: 10
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -2936.812392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2936.812392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2936.812392 (E_RNA)
where:
Base-Base interactions energy: -2026.511
where: short stacking energy: -850.681
Base-Backbone interact. energy: -6.590
local terms energy: -903.711960
where:
bonds (distance) C4'-P energy: -170.436
bonds (distance) P-C4' energy: -176.039
flat angles C4'-P-C4' energy: -186.141
flat angles P-C4'-P energy: -117.259
tors. eta vs tors. theta energy: -253.836
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: 3
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -2723.375394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2723.375394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2723.375394 (E_RNA)
where:
Base-Base interactions energy: -1873.526
where: short stacking energy: -789.030
Base-Backbone interact. energy: -1.110
local terms energy: -848.739974
where:
bonds (distance) C4'-P energy: -159.681
bonds (distance) P-C4' energy: -176.616
flat angles C4'-P-C4' energy: -180.726
flat angles P-C4'-P energy: -117.767
tors. eta vs tors. theta energy: -213.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -2681.825555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2681.825555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2681.825555 (E_RNA)
where:
Base-Base interactions energy: -1823.555
where: short stacking energy: -739.208
Base-Backbone interact. energy: -1.297
local terms energy: -856.973291
where:
bonds (distance) C4'-P energy: -155.556
bonds (distance) P-C4' energy: -159.521
flat angles C4'-P-C4' energy: -184.492
flat angles P-C4'-P energy: -130.122
tors. eta vs tors. theta energy: -227.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -2532.709903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2532.709903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2532.709903 (E_RNA)
where:
Base-Base interactions energy: -1743.983
where: short stacking energy: -729.827
Base-Backbone interact. energy: -1.596
local terms energy: -787.131077
where:
bonds (distance) C4'-P energy: -155.381
bonds (distance) P-C4' energy: -150.605
flat angles C4'-P-C4' energy: -188.145
flat angles P-C4'-P energy: -87.952
tors. eta vs tors. theta energy: -205.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -2005.871845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.871845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.871845 (E_RNA)
where:
Base-Base interactions energy: -1313.035
where: short stacking energy: -553.582
Base-Backbone interact. energy: -5.196
local terms energy: -687.640827
where:
bonds (distance) C4'-P energy: -134.217
bonds (distance) P-C4' energy: -150.232
flat angles C4'-P-C4' energy: -165.721
flat angles P-C4'-P energy: -98.212
tors. eta vs tors. theta energy: -139.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -1745.339811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.339811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.339811 (E_RNA)
where:
Base-Base interactions energy: -1048.225
where: short stacking energy: -505.155
Base-Backbone interact. energy: -0.342
local terms energy: -696.772619
where:
bonds (distance) C4'-P energy: -139.143
bonds (distance) P-C4' energy: -144.423
flat angles C4'-P-C4' energy: -173.283
flat angles P-C4'-P energy: -110.405
tors. eta vs tors. theta energy: -129.519
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: 8, replica: 8
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -1315.603217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.603217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.603217 (E_RNA)
where:
Base-Base interactions energy: -747.874
where: short stacking energy: -362.082
Base-Backbone interact. energy: 2.452
local terms energy: -570.181068
where:
bonds (distance) C4'-P energy: -150.256
bonds (distance) P-C4' energy: -140.858
flat angles C4'-P-C4' energy: -146.829
flat angles P-C4'-P energy: -82.400
tors. eta vs tors. theta energy: -49.837
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: 2
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -1049.493514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.493514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.493514 (E_RNA)
where:
Base-Base interactions energy: -564.116
where: short stacking energy: -281.802
Base-Backbone interact. energy: -0.770
local terms energy: -484.607430
where:
bonds (distance) C4'-P energy: -130.226
bonds (distance) P-C4' energy: -140.418
flat angles C4'-P-C4' energy: -136.560
flat angles P-C4'-P energy: -78.655
tors. eta vs tors. theta energy: 1.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -835.807633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.807633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.807633 (E_RNA)
where:
Base-Base interactions energy: -417.074
where: short stacking energy: -224.084
Base-Backbone interact. energy: 0.991
local terms energy: -419.724416
where:
bonds (distance) C4'-P energy: -137.502
bonds (distance) P-C4' energy: -134.774
flat angles C4'-P-C4' energy: -119.131
flat angles P-C4'-P energy: -64.035
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: 1, replica: 7
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -3082.343361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3082.343361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3082.343361 (E_RNA)
where:
Base-Base interactions energy: -2120.883
where: short stacking energy: -907.288
Base-Backbone interact. energy: -2.885
local terms energy: -958.575603
where:
bonds (distance) C4'-P energy: -181.468
bonds (distance) P-C4' energy: -182.632
flat angles C4'-P-C4' energy: -204.809
flat angles P-C4'-P energy: -122.598
tors. eta vs tors. theta energy: -267.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -2934.687323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2934.687323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2934.687323 (E_RNA)
where:
Base-Base interactions energy: -2028.801
where: short stacking energy: -854.048
Base-Backbone interact. energy: 0.318
local terms energy: -906.204180
where:
bonds (distance) C4'-P energy: -164.289
bonds (distance) P-C4' energy: -164.714
flat angles C4'-P-C4' energy: -195.094
flat angles P-C4'-P energy: -121.608
tors. eta vs tors. theta energy: -260.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -2747.386191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2747.386191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2747.386191 (E_RNA)
where:
Base-Base interactions energy: -1873.697
where: short stacking energy: -762.657
Base-Backbone interact. energy: -1.196
local terms energy: -872.492675
where:
bonds (distance) C4'-P energy: -164.694
bonds (distance) P-C4' energy: -169.565
flat angles C4'-P-C4' energy: -192.116
flat angles P-C4'-P energy: -123.444
tors. eta vs tors. theta energy: -222.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -2687.807570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2687.807570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2687.807570 (E_RNA)
where:
Base-Base interactions energy: -1824.816
where: short stacking energy: -738.893
Base-Backbone interact. energy: -2.956
local terms energy: -860.035699
where:
bonds (distance) C4'-P energy: -159.467
bonds (distance) P-C4' energy: -159.814
flat angles C4'-P-C4' energy: -194.395
flat angles P-C4'-P energy: -119.284
tors. eta vs tors. theta energy: -227.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -2526.874205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2526.874205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2526.874205 (E_RNA)
where:
Base-Base interactions energy: -1684.580
where: short stacking energy: -707.045
Base-Backbone interact. energy: -0.155
local terms energy: -842.139094
where:
bonds (distance) C4'-P energy: -163.573
bonds (distance) P-C4' energy: -145.017
flat angles C4'-P-C4' energy: -191.096
flat angles P-C4'-P energy: -118.559
tors. eta vs tors. theta energy: -223.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -1996.670136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.670136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.670136 (E_RNA)
where:
Base-Base interactions energy: -1279.595
where: short stacking energy: -565.510
Base-Backbone interact. energy: -0.540
local terms energy: -716.535374
where:
bonds (distance) C4'-P energy: -134.649
bonds (distance) P-C4' energy: -162.492
flat angles C4'-P-C4' energy: -168.428
flat angles P-C4'-P energy: -101.040
tors. eta vs tors. theta energy: -149.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -1766.544661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.544661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.544661 (E_RNA)
where:
Base-Base interactions energy: -1104.446
where: short stacking energy: -508.222
Base-Backbone interact. energy: 0.270
local terms energy: -662.368602
where:
bonds (distance) C4'-P energy: -167.320
bonds (distance) P-C4' energy: -119.576
flat angles C4'-P-C4' energy: -155.464
flat angles P-C4'-P energy: -106.106
tors. eta vs tors. theta energy: -113.903
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: 8, replica: 8
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -1345.080280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.080280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.080280 (E_RNA)
where:
Base-Base interactions energy: -746.179
where: short stacking energy: -377.051
Base-Backbone interact. energy: 2.152
local terms energy: -601.053416
where:
bonds (distance) C4'-P energy: -146.012
bonds (distance) P-C4' energy: -175.036
flat angles C4'-P-C4' energy: -152.448
flat angles P-C4'-P energy: -91.190
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: 9, replica: 2
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -1072.119373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.119373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.119373 (E_RNA)
where:
Base-Base interactions energy: -552.183
where: short stacking energy: -312.837
Base-Backbone interact. energy: -3.647
local terms energy: -516.289347
where:
bonds (distance) C4'-P energy: -119.416
bonds (distance) P-C4' energy: -158.306
flat angles C4'-P-C4' energy: -120.164
flat angles P-C4'-P energy: -91.999
tors. eta vs tors. theta energy: -26.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -885.827010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.827010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.827010 (E_RNA)
where:
Base-Base interactions energy: -441.701
where: short stacking energy: -266.676
Base-Backbone interact. energy: 7.044
local terms energy: -451.170728
where:
bonds (distance) C4'-P energy: -145.569
bonds (distance) P-C4' energy: -139.417
flat angles C4'-P-C4' energy: -112.516
flat angles P-C4'-P energy: -62.053
tors. eta vs tors. theta energy: 8.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -3037.152922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3037.152922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3037.152922 (E_RNA)
where:
Base-Base interactions energy: -2087.644
where: short stacking energy: -888.071
Base-Backbone interact. energy: -2.007
local terms energy: -947.502172
where:
bonds (distance) C4'-P energy: -175.861
bonds (distance) P-C4' energy: -170.550
flat angles C4'-P-C4' energy: -192.677
flat angles P-C4'-P energy: -133.537
tors. eta vs tors. theta energy: -274.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -2952.834800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2952.834800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2952.834800 (E_RNA)
where:
Base-Base interactions energy: -2007.320
where: short stacking energy: -843.001
Base-Backbone interact. energy: -4.254
local terms energy: -941.260624
where:
bonds (distance) C4'-P energy: -160.403
bonds (distance) P-C4' energy: -179.259
flat angles C4'-P-C4' energy: -198.522
flat angles P-C4'-P energy: -136.135
tors. eta vs tors. theta energy: -266.941
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: 3
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -2707.348703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2707.348703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2707.348703 (E_RNA)
where:
Base-Base interactions energy: -1859.566
where: short stacking energy: -771.093
Base-Backbone interact. energy: 0.518
local terms energy: -848.301029
where:
bonds (distance) C4'-P energy: -150.023
bonds (distance) P-C4' energy: -174.282
flat angles C4'-P-C4' energy: -172.501
flat angles P-C4'-P energy: -116.998
tors. eta vs tors. theta energy: -234.497
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: 6
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -2610.389478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2610.389478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2610.389478 (E_RNA)
where:
Base-Base interactions energy: -1770.241
where: short stacking energy: -730.461
Base-Backbone interact. energy: -1.430
local terms energy: -838.718210
where:
bonds (distance) C4'-P energy: -145.281
bonds (distance) P-C4' energy: -156.227
flat angles C4'-P-C4' energy: -190.934
flat angles P-C4'-P energy: -124.390
tors. eta vs tors. theta energy: -221.886
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: 5, replica: 1
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -2528.063697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2528.063697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2528.063697 (E_RNA)
where:
Base-Base interactions energy: -1722.335
where: short stacking energy: -708.722
Base-Backbone interact. energy: -4.763
local terms energy: -800.965510
where:
bonds (distance) C4'-P energy: -132.361
bonds (distance) P-C4' energy: -178.123
flat angles C4'-P-C4' energy: -171.615
flat angles P-C4'-P energy: -104.605
tors. eta vs tors. theta energy: -214.261
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: 9
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -2077.805643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.805643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.805643 (E_RNA)
where:
Base-Base interactions energy: -1369.639
where: short stacking energy: -583.549
Base-Backbone interact. energy: 3.838
local terms energy: -712.004844
where:
bonds (distance) C4'-P energy: -126.474
bonds (distance) P-C4' energy: -150.274
flat angles C4'-P-C4' energy: -175.009
flat angles P-C4'-P energy: -106.810
tors. eta vs tors. theta energy: -153.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -1707.106799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.106799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.106799 (E_RNA)
where:
Base-Base interactions energy: -1050.327
where: short stacking energy: -509.791
Base-Backbone interact. energy: -0.031
local terms energy: -656.749519
where:
bonds (distance) C4'-P energy: -162.570
bonds (distance) P-C4' energy: -149.705
flat angles C4'-P-C4' energy: -153.781
flat angles P-C4'-P energy: -83.332
tors. eta vs tors. theta energy: -107.361
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: 8
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -1331.030995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.030995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.030995 (E_RNA)
where:
Base-Base interactions energy: -783.456
where: short stacking energy: -383.879
Base-Backbone interact. energy: 3.190
local terms energy: -550.765045
where:
bonds (distance) C4'-P energy: -145.473
bonds (distance) P-C4' energy: -131.691
flat angles C4'-P-C4' energy: -142.450
flat angles P-C4'-P energy: -79.823
tors. eta vs tors. theta energy: -51.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -1089.421231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.421231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.421231 (E_RNA)
where:
Base-Base interactions energy: -622.910
where: short stacking energy: -318.018
Base-Backbone interact. energy: 3.311
local terms energy: -469.821691
where:
bonds (distance) C4'-P energy: -118.178
bonds (distance) P-C4' energy: -147.084
flat angles C4'-P-C4' energy: -110.933
flat angles P-C4'-P energy: -72.194
tors. eta vs tors. theta energy: -21.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -843.651543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.651543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.651543 (E_RNA)
where:
Base-Base interactions energy: -398.454
where: short stacking energy: -234.234
Base-Backbone interact. energy: -0.126
local terms energy: -445.070851
where:
bonds (distance) C4'-P energy: -146.111
bonds (distance) P-C4' energy: -131.560
flat angles C4'-P-C4' energy: -111.885
flat angles P-C4'-P energy: -77.518
tors. eta vs tors. theta energy: 22.003
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: 7
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -3025.490898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3025.490898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3025.490898 (E_RNA)
where:
Base-Base interactions energy: -2078.175
where: short stacking energy: -872.038
Base-Backbone interact. energy: 1.419
local terms energy: -948.734990
where:
bonds (distance) C4'-P energy: -177.034
bonds (distance) P-C4' energy: -172.227
flat angles C4'-P-C4' energy: -198.979
flat angles P-C4'-P energy: -137.796
tors. eta vs tors. theta energy: -262.699
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: 10
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -2900.563873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2900.563873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2900.563873 (E_RNA)
where:
Base-Base interactions energy: -1956.394
where: short stacking energy: -846.845
Base-Backbone interact. energy: -4.239
local terms energy: -939.931431
where:
bonds (distance) C4'-P energy: -175.537
bonds (distance) P-C4' energy: -168.034
flat angles C4'-P-C4' energy: -209.127
flat angles P-C4'-P energy: -120.123
tors. eta vs tors. theta energy: -267.109
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: 3
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -2747.035275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2747.035275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2747.035275 (E_RNA)
where:
Base-Base interactions energy: -1880.912
where: short stacking energy: -751.829
Base-Backbone interact. energy: -0.804
local terms energy: -865.319684
where:
bonds (distance) C4'-P energy: -160.937
bonds (distance) P-C4' energy: -175.291
flat angles C4'-P-C4' energy: -176.270
flat angles P-C4'-P energy: -125.379
tors. eta vs tors. theta energy: -227.442
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: 6
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -2587.468604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2587.468604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2587.468604 (E_RNA)
where:
Base-Base interactions energy: -1765.374
where: short stacking energy: -753.400
Base-Backbone interact. energy: -1.652
local terms energy: -820.443032
where:
bonds (distance) C4'-P energy: -151.584
bonds (distance) P-C4' energy: -150.386
flat angles C4'-P-C4' energy: -198.593
flat angles P-C4'-P energy: -96.959
tors. eta vs tors. theta energy: -222.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -2479.316921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2479.316921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2479.316921 (E_RNA)
where:
Base-Base interactions energy: -1686.081
where: short stacking energy: -688.356
Base-Backbone interact. energy: -3.864
local terms energy: -789.372226
where:
bonds (distance) C4'-P energy: -155.248
bonds (distance) P-C4' energy: -168.374
flat angles C4'-P-C4' energy: -175.296
flat angles P-C4'-P energy: -96.461
tors. eta vs tors. theta energy: -193.994
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: 384
Temperature: 1.150000
Total energy: -2054.540998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.540998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.540998 (E_RNA)
where:
Base-Base interactions energy: -1337.057
where: short stacking energy: -579.108
Base-Backbone interact. energy: -1.611
local terms energy: -715.873298
where:
bonds (distance) C4'-P energy: -139.688
bonds (distance) P-C4' energy: -166.972
flat angles C4'-P-C4' energy: -160.883
flat angles P-C4'-P energy: -100.310
tors. eta vs tors. theta energy: -148.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -1657.760778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.760778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.760778 (E_RNA)
where:
Base-Base interactions energy: -1018.790
where: short stacking energy: -462.981
Base-Backbone interact. energy: -2.895
local terms energy: -636.076201
where:
bonds (distance) C4'-P energy: -154.657
bonds (distance) P-C4' energy: -166.552
flat angles C4'-P-C4' energy: -141.983
flat angles P-C4'-P energy: -96.215
tors. eta vs tors. theta energy: -76.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -1311.758354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.758354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.758354 (E_RNA)
where:
Base-Base interactions energy: -746.155
where: short stacking energy: -365.773
Base-Backbone interact. energy: 5.006
local terms energy: -570.609727
where:
bonds (distance) C4'-P energy: -123.591
bonds (distance) P-C4' energy: -147.203
flat angles C4'-P-C4' energy: -149.422
flat angles P-C4'-P energy: -91.518
tors. eta vs tors. theta energy: -58.876
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: 2
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -1070.181385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.181385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.181385 (E_RNA)
where:
Base-Base interactions energy: -552.048
where: short stacking energy: -280.639
Base-Backbone interact. energy: 3.308
local terms energy: -521.441216
where:
bonds (distance) C4'-P energy: -157.329
bonds (distance) P-C4' energy: -162.142
flat angles C4'-P-C4' energy: -128.605
flat angles P-C4'-P energy: -73.762
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: 10, replica: 4
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -835.650083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.650083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.650083 (E_RNA)
where:
Base-Base interactions energy: -418.929
where: short stacking energy: -236.384
Base-Backbone interact. energy: -1.281
local terms energy: -415.440214
where:
bonds (distance) C4'-P energy: -127.615
bonds (distance) P-C4' energy: -129.241
flat angles C4'-P-C4' energy: -116.495
flat angles P-C4'-P energy: -65.874
tors. eta vs tors. theta energy: 23.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -3036.060090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3036.060090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3036.060090 (E_RNA)
where:
Base-Base interactions energy: -2078.853
where: short stacking energy: -913.602
Base-Backbone interact. energy: -2.468
local terms energy: -954.739143
where:
bonds (distance) C4'-P energy: -175.954
bonds (distance) P-C4' energy: -190.405
flat angles C4'-P-C4' energy: -203.790
flat angles P-C4'-P energy: -113.787
tors. eta vs tors. theta energy: -270.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -2925.279570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2925.279570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2925.279570 (E_RNA)
where:
Base-Base interactions energy: -2019.184
where: short stacking energy: -865.763
Base-Backbone interact. energy: -0.262
local terms energy: -905.833675
where:
bonds (distance) C4'-P energy: -153.060
bonds (distance) P-C4' energy: -178.741
flat angles C4'-P-C4' energy: -191.777
flat angles P-C4'-P energy: -124.874
tors. eta vs tors. theta energy: -257.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -2743.729999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2743.729999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2743.729999 (E_RNA)
where:
Base-Base interactions energy: -1867.779
where: short stacking energy: -764.382
Base-Backbone interact. energy: -7.271
local terms energy: -868.680159
where:
bonds (distance) C4'-P energy: -157.231
bonds (distance) P-C4' energy: -176.992
flat angles C4'-P-C4' energy: -198.702
flat angles P-C4'-P energy: -112.342
tors. eta vs tors. theta energy: -223.413
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: 1
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -2608.030463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2608.030463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2608.030463 (E_RNA)
where:
Base-Base interactions energy: -1737.882
where: short stacking energy: -720.758
Base-Backbone interact. energy: -0.456
local terms energy: -869.692485
where:
bonds (distance) C4'-P energy: -175.418
bonds (distance) P-C4' energy: -168.564
flat angles C4'-P-C4' energy: -200.636
flat angles P-C4'-P energy: -118.877
tors. eta vs tors. theta energy: -206.197
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: 385
Temperature: 1.100000
Total energy: -2534.323833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2534.323833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2534.323833 (E_RNA)
where:
Base-Base interactions energy: -1710.916
where: short stacking energy: -726.751
Base-Backbone interact. energy: -2.340
local terms energy: -821.652168
where:
bonds (distance) C4'-P energy: -150.128
bonds (distance) P-C4' energy: -165.757
flat angles C4'-P-C4' energy: -184.986
flat angles P-C4'-P energy: -94.884
tors. eta vs tors. theta energy: -225.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.584 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -2096.123431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.123431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.123431 (E_RNA)
where:
Base-Base interactions energy: -1371.500
where: short stacking energy: -595.566
Base-Backbone interact. energy: 4.743
local terms energy: -729.366864
where:
bonds (distance) C4'-P energy: -146.185
bonds (distance) P-C4' energy: -156.297
flat angles C4'-P-C4' energy: -176.442
flat angles P-C4'-P energy: -108.074
tors. eta vs tors. theta energy: -142.368
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: 385
Temperature: 1.200000
Total energy: -1767.273361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.273361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.273361 (E_RNA)
where:
Base-Base interactions energy: -1071.750
where: short stacking energy: -522.133
Base-Backbone interact. energy: -0.875
local terms energy: -694.648445
where:
bonds (distance) C4'-P energy: -157.421
bonds (distance) P-C4' energy: -170.271
flat angles C4'-P-C4' energy: -158.270
flat angles P-C4'-P energy: -85.964
tors. eta vs tors. theta energy: -122.722
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: 8
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -1302.234264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.234264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.234264 (E_RNA)
where:
Base-Base interactions energy: -752.240
where: short stacking energy: -365.988
Base-Backbone interact. energy: -0.591
local terms energy: -549.404041
where:
bonds (distance) C4'-P energy: -140.965
bonds (distance) P-C4' energy: -146.244
flat angles C4'-P-C4' energy: -140.601
flat angles P-C4'-P energy: -85.296
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: 9, replica: 2
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -1036.036861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.036861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.036861 (E_RNA)
where:
Base-Base interactions energy: -567.111
where: short stacking energy: -322.371
Base-Backbone interact. energy: 0.349
local terms energy: -469.274453
where:
bonds (distance) C4'-P energy: -132.931
bonds (distance) P-C4' energy: -130.472
flat angles C4'-P-C4' energy: -117.670
flat angles P-C4'-P energy: -75.439
tors. eta vs tors. theta energy: -12.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -814.175406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.175406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.175406 (E_RNA)
where:
Base-Base interactions energy: -383.553
where: short stacking energy: -180.240
Base-Backbone interact. energy: 2.399
local terms energy: -433.020646
where:
bonds (distance) C4'-P energy: -126.528
bonds (distance) P-C4' energy: -129.665
flat angles C4'-P-C4' energy: -92.667
flat angles P-C4'-P energy: -96.650
tors. eta vs tors. theta energy: 12.489
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: 7
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -3051.509928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3051.509928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3051.509928 (E_RNA)
where:
Base-Base interactions energy: -2111.965
where: short stacking energy: -903.254
Base-Backbone interact. energy: -4.320
local terms energy: -935.224701
where:
bonds (distance) C4'-P energy: -156.601
bonds (distance) P-C4' energy: -180.949
flat angles C4'-P-C4' energy: -194.674
flat angles P-C4'-P energy: -124.176
tors. eta vs tors. theta energy: -278.824
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: 2, replica: 10
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -2917.670341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2917.670341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2917.670341 (E_RNA)
where:
Base-Base interactions energy: -1995.008
where: short stacking energy: -881.677
Base-Backbone interact. energy: -2.215
local terms energy: -920.447480
where:
bonds (distance) C4'-P energy: -179.934
bonds (distance) P-C4' energy: -172.023
flat angles C4'-P-C4' energy: -186.180
flat angles P-C4'-P energy: -131.522
tors. eta vs tors. theta energy: -250.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -2751.778699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2751.778699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2751.778699 (E_RNA)
where:
Base-Base interactions energy: -1872.383
where: short stacking energy: -782.873
Base-Backbone interact. energy: -0.261
local terms energy: -879.135093
where:
bonds (distance) C4'-P energy: -162.618
bonds (distance) P-C4' energy: -169.122
flat angles C4'-P-C4' energy: -192.830
flat angles P-C4'-P energy: -125.219
tors. eta vs tors. theta energy: -229.346
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: 1
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -2544.373531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2544.373531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2544.373531 (E_RNA)
where:
Base-Base interactions energy: -1749.492
where: short stacking energy: -741.946
Base-Backbone interact. energy: -0.452
local terms energy: -794.428984
where:
bonds (distance) C4'-P energy: -142.494
bonds (distance) P-C4' energy: -151.114
flat angles C4'-P-C4' energy: -182.631
flat angles P-C4'-P energy: -105.130
tors. eta vs tors. theta energy: -213.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -2486.514509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2486.514509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2486.514509 (E_RNA)
where:
Base-Base interactions energy: -1659.481
where: short stacking energy: -702.760
Base-Backbone interact. energy: -0.431
local terms energy: -826.602971
where:
bonds (distance) C4'-P energy: -150.115
bonds (distance) P-C4' energy: -181.857
flat angles C4'-P-C4' energy: -172.010
flat angles P-C4'-P energy: -101.239
tors. eta vs tors. theta energy: -221.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -2041.417403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.417403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.417403 (E_RNA)
where:
Base-Base interactions energy: -1360.122
where: short stacking energy: -582.305
Base-Backbone interact. energy: -1.377
local terms energy: -679.918910
where:
bonds (distance) C4'-P energy: -133.835
bonds (distance) P-C4' energy: -148.498
flat angles C4'-P-C4' energy: -166.964
flat angles P-C4'-P energy: -94.327
tors. eta vs tors. theta energy: -136.295
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: -1700.101050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.101050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.101050 (E_RNA)
where:
Base-Base interactions energy: -1062.270
where: short stacking energy: -482.861
Base-Backbone interact. energy: -2.015
local terms energy: -635.815370
where:
bonds (distance) C4'-P energy: -141.251
bonds (distance) P-C4' energy: -142.420
flat angles C4'-P-C4' energy: -156.256
flat angles P-C4'-P energy: -77.933
tors. eta vs tors. theta energy: -117.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -1318.671446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.671446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.671446 (E_RNA)
where:
Base-Base interactions energy: -765.048
where: short stacking energy: -390.891
Base-Backbone interact. energy: 3.521
local terms energy: -557.144692
where:
bonds (distance) C4'-P energy: -152.341
bonds (distance) P-C4' energy: -156.221
flat angles C4'-P-C4' energy: -152.051
flat angles P-C4'-P energy: -59.041
tors. eta vs tors. theta energy: -37.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -970.480469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.480469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.480469 (E_RNA)
where:
Base-Base interactions energy: -473.520
where: short stacking energy: -249.579
Base-Backbone interact. energy: -0.404
local terms energy: -496.556907
where:
bonds (distance) C4'-P energy: -124.483
bonds (distance) P-C4' energy: -154.758
flat angles C4'-P-C4' energy: -127.277
flat angles P-C4'-P energy: -76.520
tors. eta vs tors. theta energy: -13.519
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: 4
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -832.403258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.403258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.403258 (E_RNA)
where:
Base-Base interactions energy: -374.587
where: short stacking energy: -237.308
Base-Backbone interact. energy: 2.165
local terms energy: -459.981276
where:
bonds (distance) C4'-P energy: -127.624
bonds (distance) P-C4' energy: -146.246
flat angles C4'-P-C4' energy: -131.131
flat angles P-C4'-P energy: -59.402
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: 1, replica: 7
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -3014.741145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3014.741145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3014.741145 (E_RNA)
where:
Base-Base interactions energy: -2019.135
where: short stacking energy: -868.328
Base-Backbone interact. energy: -0.530
local terms energy: -995.075552
where:
bonds (distance) C4'-P energy: -191.246
bonds (distance) P-C4' energy: -187.742
flat angles C4'-P-C4' energy: -202.182
flat angles P-C4'-P energy: -139.222
tors. eta vs tors. theta energy: -274.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -2898.317165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2898.317165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2898.317165 (E_RNA)
where:
Base-Base interactions energy: -1997.341
where: short stacking energy: -854.158
Base-Backbone interact. energy: -4.648
local terms energy: -896.328611
where:
bonds (distance) C4'-P energy: -171.411
bonds (distance) P-C4' energy: -172.358
flat angles C4'-P-C4' energy: -186.614
flat angles P-C4'-P energy: -120.251
tors. eta vs tors. theta energy: -245.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -2716.136994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2716.136994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2716.136994 (E_RNA)
where:
Base-Base interactions energy: -1827.246
where: short stacking energy: -761.513
Base-Backbone interact. energy: -4.139
local terms energy: -884.752558
where:
bonds (distance) C4'-P energy: -165.288
bonds (distance) P-C4' energy: -157.314
flat angles C4'-P-C4' energy: -185.919
flat angles P-C4'-P energy: -133.575
tors. eta vs tors. theta energy: -242.656
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: 387
Temperature: 1.050000
Total energy: -2592.400931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2592.400931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2592.400931 (E_RNA)
where:
Base-Base interactions energy: -1735.804
where: short stacking energy: -724.779
Base-Backbone interact. energy: -6.235
local terms energy: -850.362390
where:
bonds (distance) C4'-P energy: -164.944
bonds (distance) P-C4' energy: -162.091
flat angles C4'-P-C4' energy: -179.654
flat angles P-C4'-P energy: -120.383
tors. eta vs tors. theta energy: -223.289
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: 6
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -2442.126537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2442.126537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2442.126537 (E_RNA)
where:
Base-Base interactions energy: -1636.806
where: short stacking energy: -674.658
Base-Backbone interact. energy: -0.689
local terms energy: -804.631096
where:
bonds (distance) C4'-P energy: -131.791
bonds (distance) P-C4' energy: -160.567
flat angles C4'-P-C4' energy: -187.590
flat angles P-C4'-P energy: -110.485
tors. eta vs tors. theta energy: -214.198
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: 9
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -2088.927561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.927561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.927561 (E_RNA)
where:
Base-Base interactions energy: -1371.691
where: short stacking energy: -585.580
Base-Backbone interact. energy: 1.229
local terms energy: -718.465614
where:
bonds (distance) C4'-P energy: -156.529
bonds (distance) P-C4' energy: -164.221
flat angles C4'-P-C4' energy: -149.845
flat angles P-C4'-P energy: -110.525
tors. eta vs tors. theta energy: -137.345
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: 387
Temperature: 1.200000
Total energy: -1816.612894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.612894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.612894 (E_RNA)
where:
Base-Base interactions energy: -1156.545
where: short stacking energy: -524.261
Base-Backbone interact. energy: 0.515
local terms energy: -660.582106
where:
bonds (distance) C4'-P energy: -127.137
bonds (distance) P-C4' energy: -157.047
flat angles C4'-P-C4' energy: -166.318
flat angles P-C4'-P energy: -98.388
tors. eta vs tors. theta energy: -111.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -1303.718492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.718492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.718492 (E_RNA)
where:
Base-Base interactions energy: -729.451
where: short stacking energy: -377.540
Base-Backbone interact. energy: -1.978
local terms energy: -572.288583
where:
bonds (distance) C4'-P energy: -123.528
bonds (distance) P-C4' energy: -160.276
flat angles C4'-P-C4' energy: -151.623
flat angles P-C4'-P energy: -74.141
tors. eta vs tors. theta energy: -62.720
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: 9, replica: 2
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -1008.587269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.587269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.587269 (E_RNA)
where:
Base-Base interactions energy: -488.028
where: short stacking energy: -275.069
Base-Backbone interact. energy: 3.227
local terms energy: -523.785634
where:
bonds (distance) C4'-P energy: -142.376
bonds (distance) P-C4' energy: -164.076
flat angles C4'-P-C4' energy: -133.838
flat angles P-C4'-P energy: -70.601
tors. eta vs tors. theta energy: -12.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -808.534650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.534650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.534650 (E_RNA)
where:
Base-Base interactions energy: -382.118
where: short stacking energy: -232.972
Base-Backbone interact. energy: 11.932
local terms energy: -438.349246
where:
bonds (distance) C4'-P energy: -143.241
bonds (distance) P-C4' energy: -143.868
flat angles C4'-P-C4' energy: -117.814
flat angles P-C4'-P energy: -60.153
tors. eta vs tors. theta energy: 26.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -3012.178361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3012.178361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3012.178361 (E_RNA)
where:
Base-Base interactions energy: -2079.408
where: short stacking energy: -875.310
Base-Backbone interact. energy: 1.943
local terms energy: -934.714265
where:
bonds (distance) C4'-P energy: -147.717
bonds (distance) P-C4' energy: -168.414
flat angles C4'-P-C4' energy: -203.491
flat angles P-C4'-P energy: -130.490
tors. eta vs tors. theta energy: -284.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -2961.294892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2961.294892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2961.294892 (E_RNA)
where:
Base-Base interactions energy: -2032.635
where: short stacking energy: -857.838
Base-Backbone interact. energy: 3.778
local terms energy: -932.437891
where:
bonds (distance) C4'-P energy: -167.816
bonds (distance) P-C4' energy: -185.030
flat angles C4'-P-C4' energy: -197.221
flat angles P-C4'-P energy: -128.532
tors. eta vs tors. theta energy: -253.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -2746.377471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2746.377471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2746.377471 (E_RNA)
where:
Base-Base interactions energy: -1893.278
where: short stacking energy: -791.976
Base-Backbone interact. energy: -1.949
local terms energy: -851.149891
where:
bonds (distance) C4'-P energy: -156.932
bonds (distance) P-C4' energy: -159.510
flat angles C4'-P-C4' energy: -190.958
flat angles P-C4'-P energy: -112.171
tors. eta vs tors. theta energy: -231.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -2586.349839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2586.349839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2586.349839 (E_RNA)
where:
Base-Base interactions energy: -1752.148
where: short stacking energy: -751.245
Base-Backbone interact. energy: 2.157
local terms energy: -836.358178
where:
bonds (distance) C4'-P energy: -147.045
bonds (distance) P-C4' energy: -165.830
flat angles C4'-P-C4' energy: -179.612
flat angles P-C4'-P energy: -119.554
tors. eta vs tors. theta energy: -224.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -2435.987941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.987941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2435.987941 (E_RNA)
where:
Base-Base interactions energy: -1642.513
where: short stacking energy: -683.086
Base-Backbone interact. energy: -5.654
local terms energy: -787.820675
where:
bonds (distance) C4'-P energy: -150.001
bonds (distance) P-C4' energy: -147.084
flat angles C4'-P-C4' energy: -179.633
flat angles P-C4'-P energy: -117.161
tors. eta vs tors. theta energy: -193.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -2109.509831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.509831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.509831 (E_RNA)
where:
Base-Base interactions energy: -1370.827
where: short stacking energy: -582.434
Base-Backbone interact. energy: -1.462
local terms energy: -737.221393
where:
bonds (distance) C4'-P energy: -143.863
bonds (distance) P-C4' energy: -172.298
flat angles C4'-P-C4' energy: -157.168
flat angles P-C4'-P energy: -109.568
tors. eta vs tors. theta energy: -154.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -1789.081489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.081489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.081489 (E_RNA)
where:
Base-Base interactions energy: -1138.623
where: short stacking energy: -551.773
Base-Backbone interact. energy: 5.202
local terms energy: -655.660455
where:
bonds (distance) C4'-P energy: -121.800
bonds (distance) P-C4' energy: -163.051
flat angles C4'-P-C4' energy: -157.713
flat angles P-C4'-P energy: -99.895
tors. eta vs tors. theta energy: -113.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -1296.229824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.229824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.229824 (E_RNA)
where:
Base-Base interactions energy: -732.917
where: short stacking energy: -370.990
Base-Backbone interact. energy: 0.180
local terms energy: -563.492965
where:
bonds (distance) C4'-P energy: -134.916
bonds (distance) P-C4' energy: -155.357
flat angles C4'-P-C4' energy: -139.263
flat angles P-C4'-P energy: -79.799
tors. eta vs tors. theta energy: -54.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -990.073620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.073620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.073620 (E_RNA)
where:
Base-Base interactions energy: -466.934
where: short stacking energy: -264.501
Base-Backbone interact. energy: -1.409
local terms energy: -521.729946
where:
bonds (distance) C4'-P energy: -134.455
bonds (distance) P-C4' energy: -159.197
flat angles C4'-P-C4' energy: -135.758
flat angles P-C4'-P energy: -81.925
tors. eta vs tors. theta energy: -10.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -797.271343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.271343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.271343 (E_RNA)
where:
Base-Base interactions energy: -357.270
where: short stacking energy: -219.197
Base-Backbone interact. energy: 3.358
local terms energy: -443.359838
where:
bonds (distance) C4'-P energy: -137.195
bonds (distance) P-C4' energy: -164.182
flat angles C4'-P-C4' energy: -104.652
flat angles P-C4'-P energy: -68.782
tors. eta vs tors. theta energy: 31.451
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: 1, replica: 7
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -3018.912599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3018.912599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3018.912599 (E_RNA)
where:
Base-Base interactions energy: -2038.492
where: short stacking energy: -899.500
Base-Backbone interact. energy: -1.940
local terms energy: -978.480775
where:
bonds (distance) C4'-P energy: -195.318
bonds (distance) P-C4' energy: -168.078
flat angles C4'-P-C4' energy: -208.805
flat angles P-C4'-P energy: -134.746
tors. eta vs tors. theta energy: -271.533
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: 389
Temperature: 0.950000
Total energy: -2980.847332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2980.847332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2980.847332 (E_RNA)
where:
Base-Base interactions energy: -2005.818
where: short stacking energy: -854.999
Base-Backbone interact. energy: -2.556
local terms energy: -972.473061
where:
bonds (distance) C4'-P energy: -174.047
bonds (distance) P-C4' energy: -181.775
flat angles C4'-P-C4' energy: -219.156
flat angles P-C4'-P energy: -138.324
tors. eta vs tors. theta energy: -259.171
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: 3, replica: 3
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -2771.657009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2771.657009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2771.657009 (E_RNA)
where:
Base-Base interactions energy: -1940.340
where: short stacking energy: -806.654
Base-Backbone interact. energy: 0.805
local terms energy: -832.121989
where:
bonds (distance) C4'-P energy: -145.370
bonds (distance) P-C4' energy: -159.521
flat angles C4'-P-C4' energy: -183.452
flat angles P-C4'-P energy: -115.189
tors. eta vs tors. theta energy: -228.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -2591.134725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.134725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2591.134725 (E_RNA)
where:
Base-Base interactions energy: -1763.692
where: short stacking energy: -705.156
Base-Backbone interact. energy: -4.848
local terms energy: -822.595215
where:
bonds (distance) C4'-P energy: -156.325
bonds (distance) P-C4' energy: -159.966
flat angles C4'-P-C4' energy: -189.110
flat angles P-C4'-P energy: -116.537
tors. eta vs tors. theta energy: -200.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -2471.822776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2471.822776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2471.822776 (E_RNA)
where:
Base-Base interactions energy: -1685.066
where: short stacking energy: -706.963
Base-Backbone interact. energy: -2.571
local terms energy: -784.185726
where:
bonds (distance) C4'-P energy: -148.732
bonds (distance) P-C4' energy: -158.147
flat angles C4'-P-C4' energy: -170.987
flat angles P-C4'-P energy: -115.229
tors. eta vs tors. theta energy: -191.091
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: 9
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -2112.464450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.464450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.464450 (E_RNA)
where:
Base-Base interactions energy: -1386.201
where: short stacking energy: -596.362
Base-Backbone interact. energy: 1.450
local terms energy: -727.712798
where:
bonds (distance) C4'-P energy: -134.341
bonds (distance) P-C4' energy: -162.901
flat angles C4'-P-C4' energy: -167.814
flat angles P-C4'-P energy: -102.105
tors. eta vs tors. theta energy: -160.552
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: 7, replica: 5
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -1746.314151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.314151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.314151 (E_RNA)
where:
Base-Base interactions energy: -1120.717
where: short stacking energy: -491.664
Base-Backbone interact. energy: -2.723
local terms energy: -622.873752
where:
bonds (distance) C4'-P energy: -153.392
bonds (distance) P-C4' energy: -148.574
flat angles C4'-P-C4' energy: -150.386
flat angles P-C4'-P energy: -70.023
tors. eta vs tors. theta energy: -100.500
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: 8, replica: 8
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -1286.963119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.963119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.963119 (E_RNA)
where:
Base-Base interactions energy: -732.088
where: short stacking energy: -350.186
Base-Backbone interact. energy: 6.053
local terms energy: -560.927701
where:
bonds (distance) C4'-P energy: -159.260
bonds (distance) P-C4' energy: -120.392
flat angles C4'-P-C4' energy: -133.705
flat angles P-C4'-P energy: -110.801
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: 9, replica: 2
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -981.315917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.315917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.315917 (E_RNA)
where:
Base-Base interactions energy: -479.491
where: short stacking energy: -263.377
Base-Backbone interact. energy: 9.070
local terms energy: -510.894971
where:
bonds (distance) C4'-P energy: -151.746
bonds (distance) P-C4' energy: -124.931
flat angles C4'-P-C4' energy: -132.791
flat angles P-C4'-P energy: -82.691
tors. eta vs tors. theta energy: -18.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -813.334682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.334682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.334682 (E_RNA)
where:
Base-Base interactions energy: -365.821
where: short stacking energy: -216.947
Base-Backbone interact. energy: -3.793
local terms energy: -443.720539
where:
bonds (distance) C4'-P energy: -119.376
bonds (distance) P-C4' energy: -143.096
flat angles C4'-P-C4' energy: -131.749
flat angles P-C4'-P energy: -65.242
tors. eta vs tors. theta energy: 15.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -3010.669131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3010.669131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3010.669131 (E_RNA)
where:
Base-Base interactions energy: -2060.998
where: short stacking energy: -889.058
Base-Backbone interact. energy: -0.088
local terms energy: -949.583440
where:
bonds (distance) C4'-P energy: -177.843
bonds (distance) P-C4' energy: -166.682
flat angles C4'-P-C4' energy: -200.802
flat angles P-C4'-P energy: -139.974
tors. eta vs tors. theta energy: -264.283
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: 10
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -2905.521996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2905.521996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2905.521996 (E_RNA)
where:
Base-Base interactions energy: -1965.716
where: short stacking energy: -831.362
Base-Backbone interact. energy: -4.400
local terms energy: -935.406009
where:
bonds (distance) C4'-P energy: -163.505
bonds (distance) P-C4' energy: -174.383
flat angles C4'-P-C4' energy: -202.588
flat angles P-C4'-P energy: -135.575
tors. eta vs tors. theta energy: -259.356
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: 3
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -2803.585270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2803.585270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2803.585270 (E_RNA)
where:
Base-Base interactions energy: -1920.259
where: short stacking energy: -798.312
Base-Backbone interact. energy: -5.604
local terms energy: -877.722800
where:
bonds (distance) C4'-P energy: -161.358
bonds (distance) P-C4' energy: -174.433
flat angles C4'-P-C4' energy: -194.139
flat angles P-C4'-P energy: -121.324
tors. eta vs tors. theta energy: -226.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -2598.319975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2598.319975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2598.319975 (E_RNA)
where:
Base-Base interactions energy: -1763.912
where: short stacking energy: -754.811
Base-Backbone interact. energy: -1.771
local terms energy: -832.637107
where:
bonds (distance) C4'-P energy: -177.504
bonds (distance) P-C4' energy: -136.523
flat angles C4'-P-C4' energy: -178.144
flat angles P-C4'-P energy: -131.713
tors. eta vs tors. theta energy: -208.753
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: 390
Temperature: 1.100000
Total energy: -2417.256256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2417.256256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2417.256256 (E_RNA)
where:
Base-Base interactions energy: -1596.740
where: short stacking energy: -658.099
Base-Backbone interact. energy: -0.051
local terms energy: -820.465124
where:
bonds (distance) C4'-P energy: -163.122
bonds (distance) P-C4' energy: -179.382
flat angles C4'-P-C4' energy: -185.025
flat angles P-C4'-P energy: -109.209
tors. eta vs tors. theta energy: -183.726
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: 6, replica: 9
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -2111.067017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.067017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.067017 (E_RNA)
where:
Base-Base interactions energy: -1377.184
where: short stacking energy: -635.556
Base-Backbone interact. energy: -2.275
local terms energy: -731.608339
where:
bonds (distance) C4'-P energy: -136.533
bonds (distance) P-C4' energy: -162.347
flat angles C4'-P-C4' energy: -171.007
flat angles P-C4'-P energy: -101.659
tors. eta vs tors. theta energy: -160.062
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: 7, replica: 5
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -1797.631081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.631081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.631081 (E_RNA)
where:
Base-Base interactions energy: -1122.522
where: short stacking energy: -509.131
Base-Backbone interact. energy: -0.322
local terms energy: -674.787797
where:
bonds (distance) C4'-P energy: -152.110
bonds (distance) P-C4' energy: -141.890
flat angles C4'-P-C4' energy: -164.020
flat angles P-C4'-P energy: -92.468
tors. eta vs tors. theta energy: -124.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -1265.679004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.679004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.679004 (E_RNA)
where:
Base-Base interactions energy: -688.216
where: short stacking energy: -336.189
Base-Backbone interact. energy: 1.136
local terms energy: -578.598715
where:
bonds (distance) C4'-P energy: -142.371
bonds (distance) P-C4' energy: -167.427
flat angles C4'-P-C4' energy: -135.480
flat angles P-C4'-P energy: -86.858
tors. eta vs tors. theta energy: -46.463
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: 390
Temperature: 1.300000
Total energy: -996.618082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.618082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.618082 (E_RNA)
where:
Base-Base interactions energy: -468.118
where: short stacking energy: -275.027
Base-Backbone interact. energy: -1.068
local terms energy: -527.432428
where:
bonds (distance) C4'-P energy: -158.782
bonds (distance) P-C4' energy: -173.153
flat angles C4'-P-C4' energy: -120.827
flat angles P-C4'-P energy: -74.936
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: 10, replica: 4
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -838.655696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.655696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.655696 (E_RNA)
where:
Base-Base interactions energy: -389.688
where: short stacking energy: -232.519
Base-Backbone interact. energy: 2.610
local terms energy: -451.578042
where:
bonds (distance) C4'-P energy: -129.802
bonds (distance) P-C4' energy: -159.944
flat angles C4'-P-C4' energy: -110.923
flat angles P-C4'-P energy: -91.381
tors. eta vs tors. theta energy: 40.471
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: 1, replica: 7
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -2992.180262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2992.180262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2992.180262 (E_RNA)
where:
Base-Base interactions energy: -2024.159
where: short stacking energy: -891.790
Base-Backbone interact. energy: -2.185
local terms energy: -965.836371
where:
bonds (distance) C4'-P energy: -185.610
bonds (distance) P-C4' energy: -174.627
flat angles C4'-P-C4' energy: -185.859
flat angles P-C4'-P energy: -143.534
tors. eta vs tors. theta energy: -276.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -2904.254246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2904.254246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2904.254246 (E_RNA)
where:
Base-Base interactions energy: -1969.381
where: short stacking energy: -812.255
Base-Backbone interact. energy: -4.070
local terms energy: -930.803547
where:
bonds (distance) C4'-P energy: -172.253
bonds (distance) P-C4' energy: -168.931
flat angles C4'-P-C4' energy: -199.513
flat angles P-C4'-P energy: -132.104
tors. eta vs tors. theta energy: -258.002
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: 3
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -2758.799564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2758.799564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2758.799564 (E_RNA)
where:
Base-Base interactions energy: -1888.173
where: short stacking energy: -820.211
Base-Backbone interact. energy: 2.681
local terms energy: -873.308151
where:
bonds (distance) C4'-P energy: -151.145
bonds (distance) P-C4' energy: -184.061
flat angles C4'-P-C4' energy: -179.003
flat angles P-C4'-P energy: -116.203
tors. eta vs tors. theta energy: -242.897
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: 1
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -2555.940016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2555.940016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2555.940016 (E_RNA)
where:
Base-Base interactions energy: -1722.816
where: short stacking energy: -717.384
Base-Backbone interact. energy: -1.406
local terms energy: -831.718440
where:
bonds (distance) C4'-P energy: -149.305
bonds (distance) P-C4' energy: -174.024
flat angles C4'-P-C4' energy: -174.152
flat angles P-C4'-P energy: -128.253
tors. eta vs tors. theta energy: -205.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -2410.284178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2410.284178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2410.284178 (E_RNA)
where:
Base-Base interactions energy: -1615.090
where: short stacking energy: -685.684
Base-Backbone interact. energy: -3.205
local terms energy: -791.988967
where:
bonds (distance) C4'-P energy: -148.831
bonds (distance) P-C4' energy: -153.793
flat angles C4'-P-C4' energy: -173.594
flat angles P-C4'-P energy: -110.040
tors. eta vs tors. theta energy: -205.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -2042.499341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.499341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.499341 (E_RNA)
where:
Base-Base interactions energy: -1327.913
where: short stacking energy: -580.117
Base-Backbone interact. energy: 0.195
local terms energy: -714.780846
where:
bonds (distance) C4'-P energy: -169.867
bonds (distance) P-C4' energy: -155.144
flat angles C4'-P-C4' energy: -159.299
flat angles P-C4'-P energy: -98.523
tors. eta vs tors. theta energy: -131.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -1869.488153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.488153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.488153 (E_RNA)
where:
Base-Base interactions energy: -1172.437
where: short stacking energy: -549.063
Base-Backbone interact. energy: -4.661
local terms energy: -692.390919
where:
bonds (distance) C4'-P energy: -121.859
bonds (distance) P-C4' energy: -160.187
flat angles C4'-P-C4' energy: -176.357
flat angles P-C4'-P energy: -99.961
tors. eta vs tors. theta energy: -134.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -1269.266712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.266712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.266712 (E_RNA)
where:
Base-Base interactions energy: -717.335
where: short stacking energy: -354.584
Base-Backbone interact. energy: 1.340
local terms energy: -553.271130
where:
bonds (distance) C4'-P energy: -150.802
bonds (distance) P-C4' energy: -136.146
flat angles C4'-P-C4' energy: -146.765
flat angles P-C4'-P energy: -74.205
tors. eta vs tors. theta energy: -45.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -992.993734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.993734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.993734 (E_RNA)
where:
Base-Base interactions energy: -518.015
where: short stacking energy: -277.779
Base-Backbone interact. energy: -5.539
local terms energy: -469.439299
where:
bonds (distance) C4'-P energy: -135.239
bonds (distance) P-C4' energy: -134.708
flat angles C4'-P-C4' energy: -121.039
flat angles P-C4'-P energy: -81.337
tors. eta vs tors. theta energy: 2.882
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: 4
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -781.162337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.162337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.162337 (E_RNA)
where:
Base-Base interactions energy: -350.157
where: short stacking energy: -201.576
Base-Backbone interact. energy: 7.901
local terms energy: -438.906156
where:
bonds (distance) C4'-P energy: -131.627
bonds (distance) P-C4' energy: -148.482
flat angles C4'-P-C4' energy: -88.746
flat angles P-C4'-P energy: -88.004
tors. eta vs tors. theta energy: 17.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -2994.688135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2994.688135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2994.688135 (E_RNA)
where:
Base-Base interactions energy: -2035.562
where: short stacking energy: -879.706
Base-Backbone interact. energy: -2.174
local terms energy: -956.952056
where:
bonds (distance) C4'-P energy: -165.797
bonds (distance) P-C4' energy: -163.758
flat angles C4'-P-C4' energy: -208.635
flat angles P-C4'-P energy: -149.140
tors. eta vs tors. theta energy: -269.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -2940.462733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2940.462733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2940.462733 (E_RNA)
where:
Base-Base interactions energy: -1988.693
where: short stacking energy: -850.537
Base-Backbone interact. energy: -2.500
local terms energy: -949.269893
where:
bonds (distance) C4'-P energy: -171.875
bonds (distance) P-C4' energy: -166.266
flat angles C4'-P-C4' energy: -211.393
flat angles P-C4'-P energy: -142.036
tors. eta vs tors. theta energy: -257.699
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: 3
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -2773.508295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2773.508295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2773.508295 (E_RNA)
where:
Base-Base interactions energy: -1904.067
where: short stacking energy: -782.451
Base-Backbone interact. energy: -5.217
local terms energy: -864.224093
where:
bonds (distance) C4'-P energy: -175.015
bonds (distance) P-C4' energy: -171.880
flat angles C4'-P-C4' energy: -180.817
flat angles P-C4'-P energy: -96.447
tors. eta vs tors. theta energy: -240.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -2629.317532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2629.317532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2629.317532 (E_RNA)
where:
Base-Base interactions energy: -1800.069
where: short stacking energy: -775.381
Base-Backbone interact. energy: -4.597
local terms energy: -824.651789
where:
bonds (distance) C4'-P energy: -152.208
bonds (distance) P-C4' energy: -156.835
flat angles C4'-P-C4' energy: -193.266
flat angles P-C4'-P energy: -101.442
tors. eta vs tors. theta energy: -220.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -2403.739772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2403.739772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2403.739772 (E_RNA)
where:
Base-Base interactions energy: -1585.027
where: short stacking energy: -653.666
Base-Backbone interact. energy: -4.952
local terms energy: -813.919574
where:
bonds (distance) C4'-P energy: -151.481
bonds (distance) P-C4' energy: -167.465
flat angles C4'-P-C4' energy: -186.850
flat angles P-C4'-P energy: -116.025
tors. eta vs tors. theta energy: -192.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.158 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -2094.214971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.214971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.214971 (E_RNA)
where:
Base-Base interactions energy: -1384.235
where: short stacking energy: -572.571
Base-Backbone interact. energy: 0.910
local terms energy: -710.889930
where:
bonds (distance) C4'-P energy: -151.716
bonds (distance) P-C4' energy: -151.158
flat angles C4'-P-C4' energy: -158.813
flat angles P-C4'-P energy: -110.658
tors. eta vs tors. theta energy: -138.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -1879.489347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.489347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.489347 (E_RNA)
where:
Base-Base interactions energy: -1183.024
where: short stacking energy: -524.979
Base-Backbone interact. energy: -2.636
local terms energy: -693.829005
where:
bonds (distance) C4'-P energy: -146.819
bonds (distance) P-C4' energy: -164.399
flat angles C4'-P-C4' energy: -159.152
flat angles P-C4'-P energy: -100.954
tors. eta vs tors. theta energy: -122.504
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: 8
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -1300.669589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.669589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.669589 (E_RNA)
where:
Base-Base interactions energy: -698.013
where: short stacking energy: -386.629
Base-Backbone interact. energy: 6.822
local terms energy: -609.478202
where:
bonds (distance) C4'-P energy: -154.076
bonds (distance) P-C4' energy: -163.544
flat angles C4'-P-C4' energy: -142.043
flat angles P-C4'-P energy: -80.192
tors. eta vs tors. theta energy: -69.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -1014.300148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.300148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.300148 (E_RNA)
where:
Base-Base interactions energy: -495.558
where: short stacking energy: -281.507
Base-Backbone interact. energy: -1.929
local terms energy: -516.812606
where:
bonds (distance) C4'-P energy: -139.099
bonds (distance) P-C4' energy: -166.708
flat angles C4'-P-C4' energy: -135.596
flat angles P-C4'-P energy: -85.080
tors. eta vs tors. theta energy: 9.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -774.842518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.842518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.842518 (E_RNA)
where:
Base-Base interactions energy: -353.934
where: short stacking energy: -206.027
Base-Backbone interact. energy: -3.217
local terms energy: -417.691296
where:
bonds (distance) C4'-P energy: -129.793
bonds (distance) P-C4' energy: -150.599
flat angles C4'-P-C4' energy: -129.428
flat angles P-C4'-P energy: -58.662
tors. eta vs tors. theta energy: 50.791
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: 7
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -3017.191231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3017.191231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3017.191231 (E_RNA)
where:
Base-Base interactions energy: -2069.934
where: short stacking energy: -866.512
Base-Backbone interact. energy: -5.139
local terms energy: -942.118617
where:
bonds (distance) C4'-P energy: -172.126
bonds (distance) P-C4' energy: -171.917
flat angles C4'-P-C4' energy: -185.104
flat angles P-C4'-P energy: -152.621
tors. eta vs tors. theta energy: -260.351
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: 10
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -2939.388380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2939.388380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2939.388380 (E_RNA)
where:
Base-Base interactions energy: -2038.936
where: short stacking energy: -840.194
Base-Backbone interact. energy: -4.070
local terms energy: -896.382410
where:
bonds (distance) C4'-P energy: -175.316
bonds (distance) P-C4' energy: -157.271
flat angles C4'-P-C4' energy: -198.493
flat angles P-C4'-P energy: -107.047
tors. eta vs tors. theta energy: -258.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -2774.304149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2774.304149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2774.304149 (E_RNA)
where:
Base-Base interactions energy: -1928.811
where: short stacking energy: -746.731
Base-Backbone interact. energy: -1.699
local terms energy: -843.794350
where:
bonds (distance) C4'-P energy: -169.621
bonds (distance) P-C4' energy: -165.383
flat angles C4'-P-C4' energy: -186.701
flat angles P-C4'-P energy: -110.667
tors. eta vs tors. theta energy: -211.423
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: 1
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -2629.029582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2629.029582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2629.029582 (E_RNA)
where:
Base-Base interactions energy: -1781.635
where: short stacking energy: -757.401
Base-Backbone interact. energy: -0.426
local terms energy: -846.969275
where:
bonds (distance) C4'-P energy: -148.932
bonds (distance) P-C4' energy: -163.775
flat angles C4'-P-C4' energy: -181.160
flat angles P-C4'-P energy: -127.291
tors. eta vs tors. theta energy: -225.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -2423.440304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2423.440304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2423.440304 (E_RNA)
where:
Base-Base interactions energy: -1621.593
where: short stacking energy: -700.643
Base-Backbone interact. energy: -1.948
local terms energy: -799.899247
where:
bonds (distance) C4'-P energy: -161.587
bonds (distance) P-C4' energy: -163.518
flat angles C4'-P-C4' energy: -173.002
flat angles P-C4'-P energy: -105.287
tors. eta vs tors. theta energy: -196.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -2115.539969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2115.539969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.539969 (E_RNA)
where:
Base-Base interactions energy: -1396.560
where: short stacking energy: -587.137
Base-Backbone interact. energy: -0.082
local terms energy: -718.897720
where:
bonds (distance) C4'-P energy: -154.798
bonds (distance) P-C4' energy: -134.530
flat angles C4'-P-C4' energy: -173.602
flat angles P-C4'-P energy: -103.267
tors. eta vs tors. theta energy: -152.701
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: 5
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -1792.251619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.251619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.251619 (E_RNA)
where:
Base-Base interactions energy: -1132.355
where: short stacking energy: -516.633
Base-Backbone interact. energy: 3.567
local terms energy: -663.464193
where:
bonds (distance) C4'-P energy: -124.954
bonds (distance) P-C4' energy: -157.253
flat angles C4'-P-C4' energy: -168.400
flat angles P-C4'-P energy: -85.569
tors. eta vs tors. theta energy: -127.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -1263.619555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.619555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.619555 (E_RNA)
where:
Base-Base interactions energy: -724.206
where: short stacking energy: -356.128
Base-Backbone interact. energy: 3.567
local terms energy: -542.980233
where:
bonds (distance) C4'-P energy: -107.904
bonds (distance) P-C4' energy: -173.171
flat angles C4'-P-C4' energy: -153.015
flat angles P-C4'-P energy: -67.000
tors. eta vs tors. theta energy: -41.891
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: 9, replica: 2
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -981.638551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.638551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.638551 (E_RNA)
where:
Base-Base interactions energy: -496.907
where: short stacking energy: -280.050
Base-Backbone interact. energy: -1.116
local terms energy: -483.615205
where:
bonds (distance) C4'-P energy: -148.518
bonds (distance) P-C4' energy: -150.215
flat angles C4'-P-C4' energy: -132.084
flat angles P-C4'-P energy: -59.842
tors. eta vs tors. theta energy: 7.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -819.641460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.641460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.641460 (E_RNA)
where:
Base-Base interactions energy: -348.144
where: short stacking energy: -207.048
Base-Backbone interact. energy: -1.359
local terms energy: -470.138609
where:
bonds (distance) C4'-P energy: -148.319
bonds (distance) P-C4' energy: -161.363
flat angles C4'-P-C4' energy: -121.300
flat angles P-C4'-P energy: -62.985
tors. eta vs tors. theta energy: 23.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -3014.129612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3014.129612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3014.129612 (E_RNA)
where:
Base-Base interactions energy: -2066.941
where: short stacking energy: -859.713
Base-Backbone interact. energy: -5.513
local terms energy: -941.676115
where:
bonds (distance) C4'-P energy: -180.670
bonds (distance) P-C4' energy: -171.988
flat angles C4'-P-C4' energy: -197.430
flat angles P-C4'-P energy: -139.876
tors. eta vs tors. theta energy: -251.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -2952.766054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2952.766054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2952.766054 (E_RNA)
where:
Base-Base interactions energy: -2011.479
where: short stacking energy: -842.594
Base-Backbone interact. energy: -6.306
local terms energy: -934.980726
where:
bonds (distance) C4'-P energy: -160.225
bonds (distance) P-C4' energy: -175.005
flat angles C4'-P-C4' energy: -199.308
flat angles P-C4'-P energy: -126.610
tors. eta vs tors. theta energy: -273.832
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: 3, replica: 3
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -2744.209704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2744.209704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2744.209704 (E_RNA)
where:
Base-Base interactions energy: -1896.094
where: short stacking energy: -768.993
Base-Backbone interact. energy: -3.094
local terms energy: -845.021260
where:
bonds (distance) C4'-P energy: -152.744
bonds (distance) P-C4' energy: -166.417
flat angles C4'-P-C4' energy: -196.269
flat angles P-C4'-P energy: -112.604
tors. eta vs tors. theta energy: -216.987
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: 1
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -2580.888293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2580.888293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2580.888293 (E_RNA)
where:
Base-Base interactions energy: -1720.370
where: short stacking energy: -703.669
Base-Backbone interact. energy: -2.342
local terms energy: -858.176538
where:
bonds (distance) C4'-P energy: -154.270
bonds (distance) P-C4' energy: -183.173
flat angles C4'-P-C4' energy: -189.644
flat angles P-C4'-P energy: -118.724
tors. eta vs tors. theta energy: -212.365
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: 6
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -2432.474348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2432.474348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2432.474348 (E_RNA)
where:
Base-Base interactions energy: -1643.671
where: short stacking energy: -695.060
Base-Backbone interact. energy: 0.794
local terms energy: -789.598089
where:
bonds (distance) C4'-P energy: -164.406
bonds (distance) P-C4' energy: -150.531
flat angles C4'-P-C4' energy: -174.153
flat angles P-C4'-P energy: -107.415
tors. eta vs tors. theta energy: -193.092
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: 9
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -2109.296422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.296422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.296422 (E_RNA)
where:
Base-Base interactions energy: -1399.668
where: short stacking energy: -601.532
Base-Backbone interact. energy: 11.258
local terms energy: -720.886717
where:
bonds (distance) C4'-P energy: -164.573
bonds (distance) P-C4' energy: -145.711
flat angles C4'-P-C4' energy: -174.365
flat angles P-C4'-P energy: -90.291
tors. eta vs tors. theta energy: -145.948
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: 7, replica: 5
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -1844.255115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.255115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.255115 (E_RNA)
where:
Base-Base interactions energy: -1142.621
where: short stacking energy: -508.624
Base-Backbone interact. energy: -1.169
local terms energy: -700.465486
where:
bonds (distance) C4'-P energy: -149.509
bonds (distance) P-C4' energy: -168.064
flat angles C4'-P-C4' energy: -160.591
flat angles P-C4'-P energy: -103.629
tors. eta vs tors. theta energy: -118.672
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: 8
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -1227.426272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.426272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.426272 (E_RNA)
where:
Base-Base interactions energy: -681.701
where: short stacking energy: -327.552
Base-Backbone interact. energy: 6.641
local terms energy: -552.366882
where:
bonds (distance) C4'-P energy: -140.448
bonds (distance) P-C4' energy: -163.809
flat angles C4'-P-C4' energy: -138.021
flat angles P-C4'-P energy: -78.870
tors. eta vs tors. theta energy: -31.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -1006.503684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.503684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.503684 (E_RNA)
where:
Base-Base interactions energy: -527.586
where: short stacking energy: -293.004
Base-Backbone interact. energy: 6.078
local terms energy: -484.995711
where:
bonds (distance) C4'-P energy: -142.709
bonds (distance) P-C4' energy: -131.525
flat angles C4'-P-C4' energy: -136.707
flat angles P-C4'-P energy: -67.750
tors. eta vs tors. theta energy: -6.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -813.020050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.020050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.020050 (E_RNA)
where:
Base-Base interactions energy: -365.680
where: short stacking energy: -227.830
Base-Backbone interact. energy: 16.000
local terms energy: -463.339848
where:
bonds (distance) C4'-P energy: -118.071
bonds (distance) P-C4' energy: -153.024
flat angles C4'-P-C4' energy: -131.134
flat angles P-C4'-P energy: -75.415
tors. eta vs tors. theta energy: 14.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -2983.190755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2983.190755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2983.190755 (E_RNA)
where:
Base-Base interactions energy: -2030.942
where: short stacking energy: -851.152
Base-Backbone interact. energy: -5.512
local terms energy: -946.737037
where:
bonds (distance) C4'-P energy: -177.424
bonds (distance) P-C4' energy: -173.729
flat angles C4'-P-C4' energy: -204.682
flat angles P-C4'-P energy: -130.607
tors. eta vs tors. theta energy: -260.294
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: 395
Temperature: 0.950000
Total energy: -2981.722056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2981.722056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2981.722056 (E_RNA)
where:
Base-Base interactions energy: -2060.671
where: short stacking energy: -846.473
Base-Backbone interact. energy: 0.025
local terms energy: -921.076158
where:
bonds (distance) C4'-P energy: -180.332
bonds (distance) P-C4' energy: -171.133
flat angles C4'-P-C4' energy: -190.673
flat angles P-C4'-P energy: -116.425
tors. eta vs tors. theta energy: -262.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -2791.116473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2791.116473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2791.116473 (E_RNA)
where:
Base-Base interactions energy: -1921.022
where: short stacking energy: -783.243
Base-Backbone interact. energy: -4.150
local terms energy: -865.943910
where:
bonds (distance) C4'-P energy: -146.265
bonds (distance) P-C4' energy: -182.647
flat angles C4'-P-C4' energy: -194.504
flat angles P-C4'-P energy: -121.115
tors. eta vs tors. theta energy: -221.413
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: 1
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -2548.625598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2548.625598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2548.625598 (E_RNA)
where:
Base-Base interactions energy: -1730.306
where: short stacking energy: -738.752
Base-Backbone interact. energy: -0.805
local terms energy: -817.514693
where:
bonds (distance) C4'-P energy: -170.043
bonds (distance) P-C4' energy: -154.477
flat angles C4'-P-C4' energy: -174.716
flat angles P-C4'-P energy: -114.642
tors. eta vs tors. theta energy: -203.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -2424.345140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2424.345140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2424.345140 (E_RNA)
where:
Base-Base interactions energy: -1607.348
where: short stacking energy: -698.869
Base-Backbone interact. energy: -0.012
local terms energy: -816.984928
where:
bonds (distance) C4'-P energy: -157.081
bonds (distance) P-C4' energy: -173.600
flat angles C4'-P-C4' energy: -178.123
flat angles P-C4'-P energy: -106.520
tors. eta vs tors. theta energy: -201.661
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: 395
Temperature: 1.150000
Total energy: -2074.567216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.567216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.567216 (E_RNA)
where:
Base-Base interactions energy: -1365.218
where: short stacking energy: -589.789
Base-Backbone interact. energy: 0.820
local terms energy: -710.168503
where:
bonds (distance) C4'-P energy: -155.674
bonds (distance) P-C4' energy: -148.835
flat angles C4'-P-C4' energy: -167.757
flat angles P-C4'-P energy: -95.243
tors. eta vs tors. theta energy: -142.659
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: 5
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -1849.956697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.956697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.956697 (E_RNA)
where:
Base-Base interactions energy: -1173.664
where: short stacking energy: -534.091
Base-Backbone interact. energy: 1.368
local terms energy: -677.660754
where:
bonds (distance) C4'-P energy: -129.264
bonds (distance) P-C4' energy: -154.027
flat angles C4'-P-C4' energy: -153.660
flat angles P-C4'-P energy: -112.206
tors. eta vs tors. theta energy: -128.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -1271.662169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.662169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.662169 (E_RNA)
where:
Base-Base interactions energy: -711.763
where: short stacking energy: -340.351
Base-Backbone interact. energy: 1.286
local terms energy: -561.185199
where:
bonds (distance) C4'-P energy: -134.742
bonds (distance) P-C4' energy: -147.063
flat angles C4'-P-C4' energy: -138.968
flat angles P-C4'-P energy: -98.959
tors. eta vs tors. theta energy: -41.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -926.896476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.896476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.896476 (E_RNA)
where:
Base-Base interactions energy: -412.549
where: short stacking energy: -238.431
Base-Backbone interact. energy: -1.958
local terms energy: -512.389195
where:
bonds (distance) C4'-P energy: -142.288
bonds (distance) P-C4' energy: -151.120
flat angles C4'-P-C4' energy: -150.030
flat angles P-C4'-P energy: -82.577
tors. eta vs tors. theta energy: 13.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -833.032881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.032881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.032881 (E_RNA)
where:
Base-Base interactions energy: -363.239
where: short stacking energy: -204.083
Base-Backbone interact. energy: 8.001
local terms energy: -477.794191
where:
bonds (distance) C4'-P energy: -125.811
bonds (distance) P-C4' energy: -178.875
flat angles C4'-P-C4' energy: -118.378
flat angles P-C4'-P energy: -72.762
tors. eta vs tors. theta energy: 18.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -3020.060498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3020.060498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3020.060498 (E_RNA)
where:
Base-Base interactions energy: -2058.518
where: short stacking energy: -869.689
Base-Backbone interact. energy: -4.838
local terms energy: -956.704317
where:
bonds (distance) C4'-P energy: -192.468
bonds (distance) P-C4' energy: -183.063
flat angles C4'-P-C4' energy: -196.505
flat angles P-C4'-P energy: -117.462
tors. eta vs tors. theta energy: -267.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -2947.938156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2947.938156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2947.938156 (E_RNA)
where:
Base-Base interactions energy: -2036.599
where: short stacking energy: -867.293
Base-Backbone interact. energy: 0.268
local terms energy: -911.606929
where:
bonds (distance) C4'-P energy: -183.006
bonds (distance) P-C4' energy: -157.424
flat angles C4'-P-C4' energy: -203.795
flat angles P-C4'-P energy: -114.889
tors. eta vs tors. theta energy: -252.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -2786.630264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2786.630264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2786.630264 (E_RNA)
where:
Base-Base interactions energy: -1912.267
where: short stacking energy: -778.191
Base-Backbone interact. energy: 7.735
local terms energy: -882.098603
where:
bonds (distance) C4'-P energy: -175.762
bonds (distance) P-C4' energy: -168.945
flat angles C4'-P-C4' energy: -178.700
flat angles P-C4'-P energy: -126.158
tors. eta vs tors. theta energy: -232.533
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: 1
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -2589.451519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2589.451519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2589.451519 (E_RNA)
where:
Base-Base interactions energy: -1721.935
where: short stacking energy: -719.352
Base-Backbone interact. energy: -2.334
local terms energy: -865.182939
where:
bonds (distance) C4'-P energy: -152.142
bonds (distance) P-C4' energy: -173.633
flat angles C4'-P-C4' energy: -190.680
flat angles P-C4'-P energy: -120.339
tors. eta vs tors. theta energy: -228.389
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: 6
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -2428.361491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.361491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2428.361491 (E_RNA)
where:
Base-Base interactions energy: -1625.655
where: short stacking energy: -680.416
Base-Backbone interact. energy: -2.696
local terms energy: -800.010412
where:
bonds (distance) C4'-P energy: -144.869
bonds (distance) P-C4' energy: -173.280
flat angles C4'-P-C4' energy: -174.143
flat angles P-C4'-P energy: -101.861
tors. eta vs tors. theta energy: -205.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -2009.102114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.102114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.102114 (E_RNA)
where:
Base-Base interactions energy: -1297.744
where: short stacking energy: -557.523
Base-Backbone interact. energy: -5.264
local terms energy: -706.094838
where:
bonds (distance) C4'-P energy: -158.561
bonds (distance) P-C4' energy: -164.978
flat angles C4'-P-C4' energy: -177.790
flat angles P-C4'-P energy: -74.501
tors. eta vs tors. theta energy: -130.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -1860.605210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.605210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.605210 (E_RNA)
where:
Base-Base interactions energy: -1151.393
where: short stacking energy: -532.319
Base-Backbone interact. energy: 0.557
local terms energy: -709.769196
where:
bonds (distance) C4'-P energy: -142.266
bonds (distance) P-C4' energy: -157.101
flat angles C4'-P-C4' energy: -156.204
flat angles P-C4'-P energy: -115.604
tors. eta vs tors. theta energy: -138.594
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: 8
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -1293.119650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.119650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.119650 (E_RNA)
where:
Base-Base interactions energy: -759.285
where: short stacking energy: -375.768
Base-Backbone interact. energy: 1.942
local terms energy: -535.777342
where:
bonds (distance) C4'-P energy: -136.580
bonds (distance) P-C4' energy: -162.917
flat angles C4'-P-C4' energy: -139.185
flat angles P-C4'-P energy: -80.435
tors. eta vs tors. theta energy: -16.662
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: 9, replica: 2
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -987.988556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.988556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.988556 (E_RNA)
where:
Base-Base interactions energy: -483.574
where: short stacking energy: -263.156
Base-Backbone interact. energy: -0.715
local terms energy: -503.699598
where:
bonds (distance) C4'-P energy: -126.048
bonds (distance) P-C4' energy: -151.471
flat angles C4'-P-C4' energy: -142.893
flat angles P-C4'-P energy: -72.667
tors. eta vs tors. theta energy: -10.621
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: 10, replica: 4
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -831.374110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.374110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.374110 (E_RNA)
where:
Base-Base interactions energy: -420.531
where: short stacking energy: -263.964
Base-Backbone interact. energy: -4.226
local terms energy: -406.617350
where:
bonds (distance) C4'-P energy: -149.985
bonds (distance) P-C4' energy: -108.690
flat angles C4'-P-C4' energy: -105.703
flat angles P-C4'-P energy: -47.135
tors. eta vs tors. theta energy: 4.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -3026.423653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3026.423653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3026.423653 (E_RNA)
where:
Base-Base interactions energy: -2070.402
where: short stacking energy: -867.387
Base-Backbone interact. energy: -6.477
local terms energy: -949.544815
where:
bonds (distance) C4'-P energy: -181.655
bonds (distance) P-C4' energy: -165.095
flat angles C4'-P-C4' energy: -196.198
flat angles P-C4'-P energy: -135.389
tors. eta vs tors. theta energy: -271.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -2915.404421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2915.404421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2915.404421 (E_RNA)
where:
Base-Base interactions energy: -1989.397
where: short stacking energy: -844.547
Base-Backbone interact. energy: -4.604
local terms energy: -921.403232
where:
bonds (distance) C4'-P energy: -168.479
bonds (distance) P-C4' energy: -177.237
flat angles C4'-P-C4' energy: -185.157
flat angles P-C4'-P energy: -133.525
tors. eta vs tors. theta energy: -257.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -2773.127141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2773.127141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2773.127141 (E_RNA)
where:
Base-Base interactions energy: -1918.950
where: short stacking energy: -779.292
Base-Backbone interact. energy: -4.503
local terms energy: -849.674672
where:
bonds (distance) C4'-P energy: -153.930
bonds (distance) P-C4' energy: -167.146
flat angles C4'-P-C4' energy: -193.624
flat angles P-C4'-P energy: -110.269
tors. eta vs tors. theta energy: -224.707
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: 1
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -2607.369802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2607.369802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2607.369802 (E_RNA)
where:
Base-Base interactions energy: -1763.323
where: short stacking energy: -730.458
Base-Backbone interact. energy: -2.791
local terms energy: -841.255477
where:
bonds (distance) C4'-P energy: -155.142
bonds (distance) P-C4' energy: -156.929
flat angles C4'-P-C4' energy: -186.766
flat angles P-C4'-P energy: -133.527
tors. eta vs tors. theta energy: -208.892
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: 5, replica: 6
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -2474.377461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2474.377461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2474.377461 (E_RNA)
where:
Base-Base interactions energy: -1671.519
where: short stacking energy: -713.864
Base-Backbone interact. energy: -4.939
local terms energy: -797.918962
where:
bonds (distance) C4'-P energy: -150.261
bonds (distance) P-C4' energy: -154.271
flat angles C4'-P-C4' energy: -175.517
flat angles P-C4'-P energy: -104.578
tors. eta vs tors. theta energy: -213.292
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: 9
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -2062.722340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.722340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.722340 (E_RNA)
where:
Base-Base interactions energy: -1292.759
where: short stacking energy: -580.352
Base-Backbone interact. energy: -0.777
local terms energy: -769.186543
where:
bonds (distance) C4'-P energy: -145.291
bonds (distance) P-C4' energy: -184.111
flat angles C4'-P-C4' energy: -176.743
flat angles P-C4'-P energy: -104.283
tors. eta vs tors. theta energy: -158.759
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: 5
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -1901.188923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.188923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.188923 (E_RNA)
where:
Base-Base interactions energy: -1197.816
where: short stacking energy: -553.213
Base-Backbone interact. energy: 3.084
local terms energy: -706.456646
where:
bonds (distance) C4'-P energy: -164.234
bonds (distance) P-C4' energy: -157.783
flat angles C4'-P-C4' energy: -162.680
flat angles P-C4'-P energy: -90.146
tors. eta vs tors. theta energy: -131.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -1249.365833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.365833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.365833 (E_RNA)
where:
Base-Base interactions energy: -703.721
where: short stacking energy: -327.913
Base-Backbone interact. energy: -2.293
local terms energy: -543.351922
where:
bonds (distance) C4'-P energy: -163.374
bonds (distance) P-C4' energy: -139.834
flat angles C4'-P-C4' energy: -121.985
flat angles P-C4'-P energy: -81.111
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: 9, replica: 2
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -983.731269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.731269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.731269 (E_RNA)
where:
Base-Base interactions energy: -483.890
where: short stacking energy: -260.993
Base-Backbone interact. energy: 1.984
local terms energy: -501.824934
where:
bonds (distance) C4'-P energy: -136.955
bonds (distance) P-C4' energy: -163.466
flat angles C4'-P-C4' energy: -132.777
flat angles P-C4'-P energy: -85.694
tors. eta vs tors. theta energy: 17.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -782.162762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.162762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.162762 (E_RNA)
where:
Base-Base interactions energy: -309.911
where: short stacking energy: -182.524
Base-Backbone interact. energy: 5.087
local terms energy: -477.338398
where:
bonds (distance) C4'-P energy: -132.763
bonds (distance) P-C4' energy: -150.347
flat angles C4'-P-C4' energy: -144.987
flat angles P-C4'-P energy: -76.159
tors. eta vs tors. theta energy: 26.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -3008.652486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3008.652486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3008.652486 (E_RNA)
where:
Base-Base interactions energy: -2055.027
where: short stacking energy: -870.214
Base-Backbone interact. energy: -3.493
local terms energy: -950.132671
where:
bonds (distance) C4'-P energy: -180.377
bonds (distance) P-C4' energy: -173.194
flat angles C4'-P-C4' energy: -208.039
flat angles P-C4'-P energy: -121.672
tors. eta vs tors. theta energy: -266.850
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: 7
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -2892.798870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2892.798870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2892.798870 (E_RNA)
where:
Base-Base interactions energy: -1988.924
where: short stacking energy: -837.919
Base-Backbone interact. energy: -1.071
local terms energy: -902.804035
where:
bonds (distance) C4'-P energy: -173.264
bonds (distance) P-C4' energy: -164.460
flat angles C4'-P-C4' energy: -190.625
flat angles P-C4'-P energy: -120.292
tors. eta vs tors. theta energy: -254.163
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: 3
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -2741.292414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2741.292414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2741.292414 (E_RNA)
where:
Base-Base interactions energy: -1874.020
where: short stacking energy: -775.337
Base-Backbone interact. energy: -0.275
local terms energy: -866.997484
where:
bonds (distance) C4'-P energy: -167.355
bonds (distance) P-C4' energy: -162.631
flat angles C4'-P-C4' energy: -196.422
flat angles P-C4'-P energy: -116.220
tors. eta vs tors. theta energy: -224.371
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: 1
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -2624.176595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2624.176595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2624.176595 (E_RNA)
where:
Base-Base interactions energy: -1779.716
where: short stacking energy: -757.337
Base-Backbone interact. energy: -0.435
local terms energy: -844.025279
where:
bonds (distance) C4'-P energy: -155.050
bonds (distance) P-C4' energy: -166.034
flat angles C4'-P-C4' energy: -185.241
flat angles P-C4'-P energy: -121.832
tors. eta vs tors. theta energy: -215.868
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: 398
Temperature: 1.100000
Total energy: -2458.592416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2458.592416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2458.592416 (E_RNA)
where:
Base-Base interactions energy: -1634.410
where: short stacking energy: -686.345
Base-Backbone interact. energy: -0.652
local terms energy: -823.530156
where:
bonds (distance) C4'-P energy: -153.102
bonds (distance) P-C4' energy: -161.066
flat angles C4'-P-C4' energy: -183.613
flat angles P-C4'-P energy: -122.245
tors. eta vs tors. theta energy: -203.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -2035.874401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.874401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.874401 (E_RNA)
where:
Base-Base interactions energy: -1331.905
where: short stacking energy: -565.486
Base-Backbone interact. energy: -0.085
local terms energy: -703.885182
where:
bonds (distance) C4'-P energy: -132.725
bonds (distance) P-C4' energy: -159.297
flat angles C4'-P-C4' energy: -167.660
flat angles P-C4'-P energy: -109.065
tors. eta vs tors. theta energy: -135.138
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: 7, replica: 5
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -1887.244459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.244459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.244459 (E_RNA)
where:
Base-Base interactions energy: -1213.131
where: short stacking energy: -536.184
Base-Backbone interact. energy: 0.870
local terms energy: -674.983071
where:
bonds (distance) C4'-P energy: -143.240
bonds (distance) P-C4' energy: -168.192
flat angles C4'-P-C4' energy: -143.440
flat angles P-C4'-P energy: -95.822
tors. eta vs tors. theta energy: -124.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -1233.572422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.572422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.572422 (E_RNA)
where:
Base-Base interactions energy: -694.060
where: short stacking energy: -343.269
Base-Backbone interact. energy: -2.143
local terms energy: -537.368723
where:
bonds (distance) C4'-P energy: -140.298
bonds (distance) P-C4' energy: -143.062
flat angles C4'-P-C4' energy: -156.941
flat angles P-C4'-P energy: -84.261
tors. eta vs tors. theta energy: -12.807
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: 2
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -950.730425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.730425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.730425 (E_RNA)
where:
Base-Base interactions energy: -457.341
where: short stacking energy: -258.600
Base-Backbone interact. energy: 0.524
local terms energy: -493.913450
where:
bonds (distance) C4'-P energy: -134.866
bonds (distance) P-C4' energy: -128.594
flat angles C4'-P-C4' energy: -128.317
flat angles P-C4'-P energy: -100.758
tors. eta vs tors. theta energy: -1.379
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: 398
Temperature: 1.350000
Total energy: -794.588846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.588846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.588846 (E_RNA)
where:
Base-Base interactions energy: -381.605
where: short stacking energy: -217.507
Base-Backbone interact. energy: 5.725
local terms energy: -418.708825
where:
bonds (distance) C4'-P energy: -156.498
bonds (distance) P-C4' energy: -128.398
flat angles C4'-P-C4' energy: -108.733
flat angles P-C4'-P energy: -66.820
tors. eta vs tors. theta energy: 41.740
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: 10
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -3033.656389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3033.656389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3033.656389 (E_RNA)
where:
Base-Base interactions energy: -2085.483
where: short stacking energy: -866.275
Base-Backbone interact. energy: -1.449
local terms energy: -946.724171
where:
bonds (distance) C4'-P energy: -164.987
bonds (distance) P-C4' energy: -173.311
flat angles C4'-P-C4' energy: -211.295
flat angles P-C4'-P energy: -139.253
tors. eta vs tors. theta energy: -257.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -2903.693727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2903.693727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2903.693727 (E_RNA)
where:
Base-Base interactions energy: -2007.619
where: short stacking energy: -838.776
Base-Backbone interact. energy: -2.101
local terms energy: -893.974413
where:
bonds (distance) C4'-P energy: -163.435
bonds (distance) P-C4' energy: -151.414
flat angles C4'-P-C4' energy: -201.287
flat angles P-C4'-P energy: -127.803
tors. eta vs tors. theta energy: -250.037
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: 3
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -2745.958924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2745.958924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2745.958924 (E_RNA)
where:
Base-Base interactions energy: -1871.249
where: short stacking energy: -759.304
Base-Backbone interact. energy: -3.057
local terms energy: -871.652657
where:
bonds (distance) C4'-P energy: -166.424
bonds (distance) P-C4' energy: -174.843
flat angles C4'-P-C4' energy: -192.695
flat angles P-C4'-P energy: -124.809
tors. eta vs tors. theta energy: -212.881
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: 1
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -2603.316620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.316620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2603.316620 (E_RNA)
where:
Base-Base interactions energy: -1776.414
where: short stacking energy: -738.761
Base-Backbone interact. energy: 0.650
local terms energy: -827.552324
where:
bonds (distance) C4'-P energy: -162.339
bonds (distance) P-C4' energy: -160.638
flat angles C4'-P-C4' energy: -176.364
flat angles P-C4'-P energy: -121.720
tors. eta vs tors. theta energy: -206.492
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: 5, replica: 6
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -2424.578843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2424.578843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2424.578843 (E_RNA)
where:
Base-Base interactions energy: -1618.542
where: short stacking energy: -697.843
Base-Backbone interact. energy: -3.087
local terms energy: -802.949327
where:
bonds (distance) C4'-P energy: -148.184
bonds (distance) P-C4' energy: -150.566
flat angles C4'-P-C4' energy: -182.859
flat angles P-C4'-P energy: -113.553
tors. eta vs tors. theta energy: -207.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -2099.322929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.322929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.322929 (E_RNA)
where:
Base-Base interactions energy: -1376.607
where: short stacking energy: -607.235
Base-Backbone interact. energy: -2.652
local terms energy: -720.063570
where:
bonds (distance) C4'-P energy: -145.765
bonds (distance) P-C4' energy: -163.847
flat angles C4'-P-C4' energy: -157.535
flat angles P-C4'-P energy: -101.180
tors. eta vs tors. theta energy: -151.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -1888.777934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.777934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.777934 (E_RNA)
where:
Base-Base interactions energy: -1221.467
where: short stacking energy: -550.257
Base-Backbone interact. energy: 1.142
local terms energy: -668.453460
where:
bonds (distance) C4'-P energy: -124.401
bonds (distance) P-C4' energy: -146.251
flat angles C4'-P-C4' energy: -142.976
flat angles P-C4'-P energy: -99.321
tors. eta vs tors. theta energy: -155.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -1241.835398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.835398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.835398 (E_RNA)
where:
Base-Base interactions energy: -653.128
where: short stacking energy: -355.445
Base-Backbone interact. energy: 11.321
local terms energy: -600.028509
where:
bonds (distance) C4'-P energy: -153.149
bonds (distance) P-C4' energy: -176.129
flat angles C4'-P-C4' energy: -134.629
flat angles P-C4'-P energy: -82.003
tors. eta vs tors. theta energy: -54.119
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: 2
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -1040.132990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.132990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.132990 (E_RNA)
where:
Base-Base interactions energy: -512.530
where: short stacking energy: -285.999
Base-Backbone interact. energy: 3.377
local terms energy: -530.980628
where:
bonds (distance) C4'-P energy: -141.321
bonds (distance) P-C4' energy: -148.447
flat angles C4'-P-C4' energy: -132.944
flat angles P-C4'-P energy: -83.589
tors. eta vs tors. theta energy: -24.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -825.527218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.527218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.527218 (E_RNA)
where:
Base-Base interactions energy: -388.539
where: short stacking energy: -231.428
Base-Backbone interact. energy: 5.932
local terms energy: -442.919413
where:
bonds (distance) C4'-P energy: -123.836
bonds (distance) P-C4' energy: -143.115
flat angles C4'-P-C4' energy: -109.310
flat angles P-C4'-P energy: -76.839
tors. eta vs tors. theta energy: 10.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -3040.285588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3040.285588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3040.285588 (E_RNA)
where:
Base-Base interactions energy: -2081.686
where: short stacking energy: -863.096
Base-Backbone interact. energy: -4.672
local terms energy: -953.928122
where:
bonds (distance) C4'-P energy: -169.570
bonds (distance) P-C4' energy: -178.865
flat angles C4'-P-C4' energy: -201.974
flat angles P-C4'-P energy: -137.063
tors. eta vs tors. theta energy: -266.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -2899.975593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2899.975593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2899.975593 (E_RNA)
where:
Base-Base interactions energy: -1979.934
where: short stacking energy: -819.254
Base-Backbone interact. energy: -2.247
local terms energy: -917.795470
where:
bonds (distance) C4'-P energy: -174.708
bonds (distance) P-C4' energy: -183.145
flat angles C4'-P-C4' energy: -185.111
flat angles P-C4'-P energy: -130.688
tors. eta vs tors. theta energy: -244.144
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: 3
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -2770.803192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2770.803192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2770.803192 (E_RNA)
where:
Base-Base interactions energy: -1885.332
where: short stacking energy: -777.642
Base-Backbone interact. energy: 6.266
local terms energy: -891.737409
where:
bonds (distance) C4'-P energy: -165.975
bonds (distance) P-C4' energy: -175.875
flat angles C4'-P-C4' energy: -194.148
flat angles P-C4'-P energy: -127.495
tors. eta vs tors. theta energy: -228.244
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: 1
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -2635.124855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2635.124855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2635.124855 (E_RNA)
where:
Base-Base interactions energy: -1793.156
where: short stacking energy: -788.326
Base-Backbone interact. energy: 5.183
local terms energy: -847.151310
where:
bonds (distance) C4'-P energy: -167.097
bonds (distance) P-C4' energy: -151.309
flat angles C4'-P-C4' energy: -188.484
flat angles P-C4'-P energy: -118.988
tors. eta vs tors. theta energy: -221.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -2447.705497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2447.705497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2447.705497 (E_RNA)
where:
Base-Base interactions energy: -1657.336
where: short stacking energy: -716.589
Base-Backbone interact. energy: 0.187
local terms energy: -790.557049
where:
bonds (distance) C4'-P energy: -158.791
bonds (distance) P-C4' energy: -154.614
flat angles C4'-P-C4' energy: -170.543
flat angles P-C4'-P energy: -110.359
tors. eta vs tors. theta energy: -196.250
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: 9
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -2026.688648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.688648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.688648 (E_RNA)
where:
Base-Base interactions energy: -1298.871
where: short stacking energy: -588.585
Base-Backbone interact. energy: 0.447
local terms energy: -728.264615
where:
bonds (distance) C4'-P energy: -163.590
bonds (distance) P-C4' energy: -158.268
flat angles C4'-P-C4' energy: -154.654
flat angles P-C4'-P energy: -101.632
tors. eta vs tors. theta energy: -150.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -1866.824670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.824670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.824670 (E_RNA)
where:
Base-Base interactions energy: -1177.382
where: short stacking energy: -519.834
Base-Backbone interact. energy: -1.588
local terms energy: -687.855318
where:
bonds (distance) C4'-P energy: -139.926
bonds (distance) P-C4' energy: -172.111
flat angles C4'-P-C4' energy: -161.520
flat angles P-C4'-P energy: -86.271
tors. eta vs tors. theta energy: -128.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -1221.883551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.883551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.883551 (E_RNA)
where:
Base-Base interactions energy: -681.823
where: short stacking energy: -337.323
Base-Backbone interact. energy: -4.598
local terms energy: -535.462541
where:
bonds (distance) C4'-P energy: -135.171
bonds (distance) P-C4' energy: -140.357
flat angles C4'-P-C4' energy: -146.027
flat angles P-C4'-P energy: -90.015
tors. eta vs tors. theta energy: -23.893
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: 2
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -959.019241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.019241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.019241 (E_RNA)
where:
Base-Base interactions energy: -445.687
where: short stacking energy: -236.456
Base-Backbone interact. energy: -2.968
local terms energy: -510.364096
where:
bonds (distance) C4'-P energy: -158.651
bonds (distance) P-C4' energy: -147.786
flat angles C4'-P-C4' energy: -120.142
flat angles P-C4'-P energy: -75.308
tors. eta vs tors. theta energy: -8.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -816.002129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.002129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.002129 (E_RNA)
where:
Base-Base interactions energy: -358.501
where: short stacking energy: -201.820
Base-Backbone interact. energy: 4.645
local terms energy: -462.146801
where:
bonds (distance) C4'-P energy: -144.505
bonds (distance) P-C4' energy: -149.078
flat angles C4'-P-C4' energy: -121.249
flat angles P-C4'-P energy: -64.879
tors. eta vs tors. theta energy: 17.564
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: 1, replica: 10
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -3070.925453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3070.925453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3070.925453 (E_RNA)
where:
Base-Base interactions energy: -2108.785
where: short stacking energy: -891.651
Base-Backbone interact. energy: -6.584
local terms energy: -955.556206
where:
bonds (distance) C4'-P energy: -186.246
bonds (distance) P-C4' energy: -167.644
flat angles C4'-P-C4' energy: -200.169
flat angles P-C4'-P energy: -130.796
tors. eta vs tors. theta energy: -270.701
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: 7
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -2903.979689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2903.979689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2903.979689 (E_RNA)
where:
Base-Base interactions energy: -1978.792
where: short stacking energy: -813.640
Base-Backbone interact. energy: 4.633
local terms energy: -929.820885
where:
bonds (distance) C4'-P energy: -187.260
bonds (distance) P-C4' energy: -168.760
flat angles C4'-P-C4' energy: -188.188
flat angles P-C4'-P energy: -128.825
tors. eta vs tors. theta energy: -256.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -2743.614218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2743.614218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2743.614218 (E_RNA)
where:
Base-Base interactions energy: -1873.141
where: short stacking energy: -765.293
Base-Backbone interact. energy: -5.242
local terms energy: -865.231324
where:
bonds (distance) C4'-P energy: -167.433
bonds (distance) P-C4' energy: -174.990
flat angles C4'-P-C4' energy: -187.667
flat angles P-C4'-P energy: -112.449
tors. eta vs tors. theta energy: -222.692
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: 4, replica: 1
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -2580.781504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2580.781504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2580.781504 (E_RNA)
where:
Base-Base interactions energy: -1801.038
where: short stacking energy: -730.350
Base-Backbone interact. energy: -0.282
local terms energy: -779.461652
where:
bonds (distance) C4'-P energy: -141.875
bonds (distance) P-C4' energy: -155.757
flat angles C4'-P-C4' energy: -180.846
flat angles P-C4'-P energy: -100.001
tors. eta vs tors. theta energy: -200.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -2366.328050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2366.328050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2366.328050 (E_RNA)
where:
Base-Base interactions energy: -1600.995
where: short stacking energy: -676.252
Base-Backbone interact. energy: -1.642
local terms energy: -763.691238
where:
bonds (distance) C4'-P energy: -149.493
bonds (distance) P-C4' energy: -151.407
flat angles C4'-P-C4' energy: -176.275
flat angles P-C4'-P energy: -100.865
tors. eta vs tors. theta energy: -185.651
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: 9
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -1932.219906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.219906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.219906 (E_RNA)
where:
Base-Base interactions energy: -1215.056
where: short stacking energy: -531.730
Base-Backbone interact. energy: 1.484
local terms energy: -718.648346
where:
bonds (distance) C4'-P energy: -155.996
bonds (distance) P-C4' energy: -151.846
flat angles C4'-P-C4' energy: -177.924
flat angles P-C4'-P energy: -115.407
tors. eta vs tors. theta energy: -117.474
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: 5
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -1864.967345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.967345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.967345 (E_RNA)
where:
Base-Base interactions energy: -1184.721
where: short stacking energy: -538.726
Base-Backbone interact. energy: -0.788
local terms energy: -679.459220
where:
bonds (distance) C4'-P energy: -130.640
bonds (distance) P-C4' energy: -147.797
flat angles C4'-P-C4' energy: -173.716
flat angles P-C4'-P energy: -82.076
tors. eta vs tors. theta energy: -145.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -1295.184807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.184807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.184807 (E_RNA)
where:
Base-Base interactions energy: -733.825
where: short stacking energy: -386.635
Base-Backbone interact. energy: 7.989
local terms energy: -569.348467
where:
bonds (distance) C4'-P energy: -131.734
bonds (distance) P-C4' energy: -172.848
flat angles C4'-P-C4' energy: -126.100
flat angles P-C4'-P energy: -81.136
tors. eta vs tors. theta energy: -57.531
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: -976.454365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.454365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.454365 (E_RNA)
where:
Base-Base interactions energy: -466.363
where: short stacking energy: -251.026
Base-Backbone interact. energy: 6.719
local terms energy: -516.809973
where:
bonds (distance) C4'-P energy: -137.906
bonds (distance) P-C4' energy: -162.348
flat angles C4'-P-C4' energy: -120.274
flat angles P-C4'-P energy: -92.880
tors. eta vs tors. theta energy: -3.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -816.266773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.266773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.266773 (E_RNA)
where:
Base-Base interactions energy: -378.782
where: short stacking energy: -220.739
Base-Backbone interact. energy: 0.766
local terms energy: -438.250895
where:
bonds (distance) C4'-P energy: -138.442
bonds (distance) P-C4' energy: -132.595
flat angles C4'-P-C4' energy: -123.360
flat angles P-C4'-P energy: -76.018
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: 1, replica: 10
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -3004.804510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3004.804510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3004.804510 (E_RNA)
where:
Base-Base interactions energy: -2035.734
where: short stacking energy: -866.485
Base-Backbone interact. energy: -9.506
local terms energy: -959.564647
where:
bonds (distance) C4'-P energy: -163.082
bonds (distance) P-C4' energy: -180.200
flat angles C4'-P-C4' energy: -210.592
flat angles P-C4'-P energy: -130.322
tors. eta vs tors. theta energy: -275.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -2920.803760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2920.803760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2920.803760 (E_RNA)
where:
Base-Base interactions energy: -2033.844
where: short stacking energy: -846.842
Base-Backbone interact. energy: 0.543
local terms energy: -887.502648
where:
bonds (distance) C4'-P energy: -156.027
bonds (distance) P-C4' energy: -176.799
flat angles C4'-P-C4' energy: -193.900
flat angles P-C4'-P energy: -106.692
tors. eta vs tors. theta energy: -254.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -2756.901165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2756.901165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2756.901165 (E_RNA)
where:
Base-Base interactions energy: -1900.673
where: short stacking energy: -784.796
Base-Backbone interact. energy: -3.498
local terms energy: -852.729817
where:
bonds (distance) C4'-P energy: -162.602
bonds (distance) P-C4' energy: -167.942
flat angles C4'-P-C4' energy: -187.860
flat angles P-C4'-P energy: -100.934
tors. eta vs tors. theta energy: -233.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -2579.477013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2579.477013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2579.477013 (E_RNA)
where:
Base-Base interactions energy: -1781.485
where: short stacking energy: -763.611
Base-Backbone interact. energy: 1.845
local terms energy: -799.836997
where:
bonds (distance) C4'-P energy: -131.526
bonds (distance) P-C4' energy: -157.626
flat angles C4'-P-C4' energy: -189.701
flat angles P-C4'-P energy: -109.937
tors. eta vs tors. theta energy: -211.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -2405.044420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2405.044420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2405.044420 (E_RNA)
where:
Base-Base interactions energy: -1621.711
where: short stacking energy: -688.805
Base-Backbone interact. energy: -7.788
local terms energy: -775.545708
where:
bonds (distance) C4'-P energy: -154.323
bonds (distance) P-C4' energy: -164.550
flat angles C4'-P-C4' energy: -171.039
flat angles P-C4'-P energy: -106.568
tors. eta vs tors. theta energy: -179.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -1996.317403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.317403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.317403 (E_RNA)
where:
Base-Base interactions energy: -1301.548
where: short stacking energy: -551.556
Base-Backbone interact. energy: -0.735
local terms energy: -694.033605
where:
bonds (distance) C4'-P energy: -144.460
bonds (distance) P-C4' energy: -156.231
flat angles C4'-P-C4' energy: -153.380
flat angles P-C4'-P energy: -107.727
tors. eta vs tors. theta energy: -132.236
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: 5
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -1835.203746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.203746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.203746 (E_RNA)
where:
Base-Base interactions energy: -1176.655
where: short stacking energy: -496.111
Base-Backbone interact. energy: -4.172
local terms energy: -654.377457
where:
bonds (distance) C4'-P energy: -139.540
bonds (distance) P-C4' energy: -161.666
flat angles C4'-P-C4' energy: -162.688
flat angles P-C4'-P energy: -82.511
tors. eta vs tors. theta energy: -107.973
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: 8, replica: 8
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -1299.143173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.143173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.143173 (E_RNA)
where:
Base-Base interactions energy: -718.125
where: short stacking energy: -368.619
Base-Backbone interact. energy: -1.481
local terms energy: -579.537116
where:
bonds (distance) C4'-P energy: -148.653
bonds (distance) P-C4' energy: -152.150
flat angles C4'-P-C4' energy: -148.339
flat angles P-C4'-P energy: -78.464
tors. eta vs tors. theta energy: -51.931
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: 402
Temperature: 1.300000
Total energy: -926.893110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.893110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.893110 (E_RNA)
where:
Base-Base interactions energy: -481.118
where: short stacking energy: -267.132
Base-Backbone interact. energy: 4.207
local terms energy: -449.981639
where:
bonds (distance) C4'-P energy: -123.403
bonds (distance) P-C4' energy: -138.356
flat angles C4'-P-C4' energy: -113.688
flat angles P-C4'-P energy: -86.393
tors. eta vs tors. theta energy: 11.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -785.480221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.480221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.480221 (E_RNA)
where:
Base-Base interactions energy: -373.374
where: short stacking energy: -220.385
Base-Backbone interact. energy: 0.032
local terms energy: -412.137365
where:
bonds (distance) C4'-P energy: -120.941
bonds (distance) P-C4' energy: -154.426
flat angles C4'-P-C4' energy: -116.799
flat angles P-C4'-P energy: -62.163
tors. eta vs tors. theta energy: 42.191
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: 10
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -3007.727792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3007.727792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3007.727792 (E_RNA)
where:
Base-Base interactions energy: -2053.693
where: short stacking energy: -869.528
Base-Backbone interact. energy: -0.088
local terms energy: -953.946482
where:
bonds (distance) C4'-P energy: -187.561
bonds (distance) P-C4' energy: -168.223
flat angles C4'-P-C4' energy: -194.917
flat angles P-C4'-P energy: -137.440
tors. eta vs tors. theta energy: -265.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -2929.643613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2929.643613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2929.643613 (E_RNA)
where:
Base-Base interactions energy: -2037.255
where: short stacking energy: -824.657
Base-Backbone interact. energy: -2.933
local terms energy: -889.455423
where:
bonds (distance) C4'-P energy: -159.144
bonds (distance) P-C4' energy: -174.283
flat angles C4'-P-C4' energy: -197.653
flat angles P-C4'-P energy: -121.614
tors. eta vs tors. theta energy: -236.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -2713.658106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2713.658106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2713.658106 (E_RNA)
where:
Base-Base interactions energy: -1860.848
where: short stacking energy: -725.041
Base-Backbone interact. energy: 7.024
local terms energy: -859.833778
where:
bonds (distance) C4'-P energy: -179.416
bonds (distance) P-C4' energy: -157.535
flat angles C4'-P-C4' energy: -189.827
flat angles P-C4'-P energy: -113.857
tors. eta vs tors. theta energy: -219.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -2586.244723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2586.244723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2586.244723 (E_RNA)
where:
Base-Base interactions energy: -1762.060
where: short stacking energy: -745.053
Base-Backbone interact. energy: -1.087
local terms energy: -823.096914
where:
bonds (distance) C4'-P energy: -141.320
bonds (distance) P-C4' energy: -166.709
flat angles C4'-P-C4' energy: -179.163
flat angles P-C4'-P energy: -131.593
tors. eta vs tors. theta energy: -204.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -2437.654358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2437.654358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2437.654358 (E_RNA)
where:
Base-Base interactions energy: -1636.017
where: short stacking energy: -655.121
Base-Backbone interact. energy: -2.032
local terms energy: -799.605393
where:
bonds (distance) C4'-P energy: -157.510
bonds (distance) P-C4' energy: -165.315
flat angles C4'-P-C4' energy: -194.364
flat angles P-C4'-P energy: -105.987
tors. eta vs tors. theta energy: -176.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -1997.964114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.964114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.964114 (E_RNA)
where:
Base-Base interactions energy: -1313.323
where: short stacking energy: -581.341
Base-Backbone interact. energy: 3.456
local terms energy: -688.097093
where:
bonds (distance) C4'-P energy: -144.399
bonds (distance) P-C4' energy: -170.857
flat angles C4'-P-C4' energy: -145.619
flat angles P-C4'-P energy: -85.764
tors. eta vs tors. theta energy: -141.459
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: 7, replica: 5
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -1831.121899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.121899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.121899 (E_RNA)
where:
Base-Base interactions energy: -1131.495
where: short stacking energy: -509.480
Base-Backbone interact. energy: -4.066
local terms energy: -695.560936
where:
bonds (distance) C4'-P energy: -128.075
bonds (distance) P-C4' energy: -156.452
flat angles C4'-P-C4' energy: -164.087
flat angles P-C4'-P energy: -115.265
tors. eta vs tors. theta energy: -131.682
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: 8, replica: 8
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -1220.534318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.534318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.534318 (E_RNA)
where:
Base-Base interactions energy: -684.646
where: short stacking energy: -351.996
Base-Backbone interact. energy: -2.369
local terms energy: -533.519562
where:
bonds (distance) C4'-P energy: -142.134
bonds (distance) P-C4' energy: -153.393
flat angles C4'-P-C4' energy: -125.623
flat angles P-C4'-P energy: -70.623
tors. eta vs tors. theta energy: -41.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -879.120212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.120212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.120212 (E_RNA)
where:
Base-Base interactions energy: -429.319
where: short stacking energy: -215.109
Base-Backbone interact. energy: 0.420
local terms energy: -450.221416
where:
bonds (distance) C4'-P energy: -164.346
bonds (distance) P-C4' energy: -143.076
flat angles C4'-P-C4' energy: -115.176
flat angles P-C4'-P energy: -64.409
tors. eta vs tors. theta energy: 36.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -758.813533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.813533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.813533 (E_RNA)
where:
Base-Base interactions energy: -315.655
where: short stacking energy: -230.192
Base-Backbone interact. energy: 1.827
local terms energy: -444.985711
where:
bonds (distance) C4'-P energy: -147.794
bonds (distance) P-C4' energy: -141.471
flat angles C4'-P-C4' energy: -114.650
flat angles P-C4'-P energy: -59.067
tors. eta vs tors. theta energy: 17.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -3005.909923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3005.909923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3005.909923 (E_RNA)
where:
Base-Base interactions energy: -2061.022
where: short stacking energy: -863.039
Base-Backbone interact. energy: -8.704
local terms energy: -936.183012
where:
bonds (distance) C4'-P energy: -182.108
bonds (distance) P-C4' energy: -174.058
flat angles C4'-P-C4' energy: -188.441
flat angles P-C4'-P energy: -130.535
tors. eta vs tors. theta energy: -261.040
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: 2, replica: 7
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -2951.425865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2951.425865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2951.425865 (E_RNA)
where:
Base-Base interactions energy: -2057.262
where: short stacking energy: -846.478
Base-Backbone interact. energy: 0.429
local terms energy: -894.592140
where:
bonds (distance) C4'-P energy: -178.217
bonds (distance) P-C4' energy: -156.649
flat angles C4'-P-C4' energy: -190.490
flat angles P-C4'-P energy: -128.283
tors. eta vs tors. theta energy: -240.953
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: 1
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -2616.520840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2616.520840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2616.520840 (E_RNA)
where:
Base-Base interactions energy: -1757.616
where: short stacking energy: -733.705
Base-Backbone interact. energy: -1.037
local terms energy: -857.867876
where:
bonds (distance) C4'-P energy: -165.478
bonds (distance) P-C4' energy: -170.290
flat angles C4'-P-C4' energy: -189.961
flat angles P-C4'-P energy: -134.681
tors. eta vs tors. theta energy: -197.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -2600.553808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2600.553808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2600.553808 (E_RNA)
where:
Base-Base interactions energy: -1802.726
where: short stacking energy: -754.642
Base-Backbone interact. energy: -1.303
local terms energy: -796.524618
where:
bonds (distance) C4'-P energy: -155.317
bonds (distance) P-C4' energy: -164.191
flat angles C4'-P-C4' energy: -172.230
flat angles P-C4'-P energy: -102.225
tors. eta vs tors. theta energy: -202.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -2374.979184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2374.979184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2374.979184 (E_RNA)
where:
Base-Base interactions energy: -1612.312
where: short stacking energy: -648.516
Base-Backbone interact. energy: 2.028
local terms energy: -764.694799
where:
bonds (distance) C4'-P energy: -139.566
bonds (distance) P-C4' energy: -151.341
flat angles C4'-P-C4' energy: -172.335
flat angles P-C4'-P energy: -112.251
tors. eta vs tors. theta energy: -189.201
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: 6, replica: 9
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -2040.181419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.181419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.181419 (E_RNA)
where:
Base-Base interactions energy: -1368.139
where: short stacking energy: -605.309
Base-Backbone interact. energy: -1.248
local terms energy: -670.794397
where:
bonds (distance) C4'-P energy: -139.976
bonds (distance) P-C4' energy: -147.916
flat angles C4'-P-C4' energy: -159.012
flat angles P-C4'-P energy: -87.689
tors. eta vs tors. theta energy: -136.202
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: 5
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -1966.006363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.006363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.006363 (E_RNA)
where:
Base-Base interactions energy: -1282.035
where: short stacking energy: -569.410
Base-Backbone interact. energy: -4.682
local terms energy: -679.289913
where:
bonds (distance) C4'-P energy: -148.408
bonds (distance) P-C4' energy: -158.362
flat angles C4'-P-C4' energy: -134.098
flat angles P-C4'-P energy: -110.943
tors. eta vs tors. theta energy: -127.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -1221.787636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.787636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.787636 (E_RNA)
where:
Base-Base interactions energy: -675.197
where: short stacking energy: -309.149
Base-Backbone interact. energy: 0.416
local terms energy: -547.007180
where:
bonds (distance) C4'-P energy: -164.088
bonds (distance) P-C4' energy: -141.715
flat angles C4'-P-C4' energy: -138.997
flat angles P-C4'-P energy: -88.199
tors. eta vs tors. theta energy: -14.009
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: 9, replica: 2
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -919.300196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.300196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.300196 (E_RNA)
where:
Base-Base interactions energy: -437.811
where: short stacking energy: -280.669
Base-Backbone interact. energy: -1.048
local terms energy: -480.441035
where:
bonds (distance) C4'-P energy: -134.210
bonds (distance) P-C4' energy: -159.744
flat angles C4'-P-C4' energy: -114.325
flat angles P-C4'-P energy: -71.536
tors. eta vs tors. theta energy: -0.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -781.601255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.601255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.601255 (E_RNA)
where:
Base-Base interactions energy: -320.831
where: short stacking energy: -208.695
Base-Backbone interact. energy: 11.830
local terms energy: -472.600275
where:
bonds (distance) C4'-P energy: -132.276
bonds (distance) P-C4' energy: -171.919
flat angles C4'-P-C4' energy: -113.720
flat angles P-C4'-P energy: -67.806
tors. eta vs tors. theta energy: 13.122
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: 1, replica: 10
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -3026.141768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3026.141768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3026.141768 (E_RNA)
where:
Base-Base interactions energy: -2087.418
where: short stacking energy: -867.231
Base-Backbone interact. energy: -3.752
local terms energy: -934.972444
where:
bonds (distance) C4'-P energy: -168.041
bonds (distance) P-C4' energy: -178.370
flat angles C4'-P-C4' energy: -186.787
flat angles P-C4'-P energy: -139.060
tors. eta vs tors. theta energy: -262.714
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: 405
Temperature: 0.950000
Total energy: -2934.056750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2934.056750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2934.056750 (E_RNA)
where:
Base-Base interactions energy: -2015.707
where: short stacking energy: -836.868
Base-Backbone interact. energy: 1.508
local terms energy: -919.858144
where:
bonds (distance) C4'-P energy: -176.960
bonds (distance) P-C4' energy: -168.385
flat angles C4'-P-C4' energy: -188.503
flat angles P-C4'-P energy: -126.294
tors. eta vs tors. theta energy: -259.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -2572.020824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.020824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2572.020824 (E_RNA)
where:
Base-Base interactions energy: -1748.017
where: short stacking energy: -708.689
Base-Backbone interact. energy: -0.010
local terms energy: -823.994169
where:
bonds (distance) C4'-P energy: -158.325
bonds (distance) P-C4' energy: -169.672
flat angles C4'-P-C4' energy: -182.482
flat angles P-C4'-P energy: -118.947
tors. eta vs tors. theta energy: -194.568
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: 3
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -2635.256070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2635.256070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2635.256070 (E_RNA)
where:
Base-Base interactions energy: -1798.737
where: short stacking energy: -707.711
Base-Backbone interact. energy: 1.078
local terms energy: -837.597062
where:
bonds (distance) C4'-P energy: -173.135
bonds (distance) P-C4' energy: -176.956
flat angles C4'-P-C4' energy: -170.258
flat angles P-C4'-P energy: -98.910
tors. eta vs tors. theta energy: -218.337
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: 5, replica: 6
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -2321.724274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2321.724274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2321.724274 (E_RNA)
where:
Base-Base interactions energy: -1581.983
where: short stacking energy: -672.025
Base-Backbone interact. energy: 1.653
local terms energy: -741.394713
where:
bonds (distance) C4'-P energy: -125.367
bonds (distance) P-C4' energy: -150.649
flat angles C4'-P-C4' energy: -177.116
flat angles P-C4'-P energy: -110.323
tors. eta vs tors. theta energy: -177.940
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: 6, replica: 9
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -2066.607772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.607772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.607772 (E_RNA)
where:
Base-Base interactions energy: -1369.181
where: short stacking energy: -563.760
Base-Backbone interact. energy: -3.979
local terms energy: -693.447904
where:
bonds (distance) C4'-P energy: -159.742
bonds (distance) P-C4' energy: -152.291
flat angles C4'-P-C4' energy: -156.857
flat angles P-C4'-P energy: -96.698
tors. eta vs tors. theta energy: -127.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -1971.460763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.460763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.460763 (E_RNA)
where:
Base-Base interactions energy: -1290.464
where: short stacking energy: -579.103
Base-Backbone interact. energy: 2.548
local terms energy: -683.544774
where:
bonds (distance) C4'-P energy: -145.991
bonds (distance) P-C4' energy: -138.289
flat angles C4'-P-C4' energy: -150.773
flat angles P-C4'-P energy: -109.459
tors. eta vs tors. theta energy: -139.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -1252.529861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.529861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.529861 (E_RNA)
where:
Base-Base interactions energy: -720.844
where: short stacking energy: -327.943
Base-Backbone interact. energy: 0.717
local terms energy: -532.403077
where:
bonds (distance) C4'-P energy: -129.735
bonds (distance) P-C4' energy: -148.343
flat angles C4'-P-C4' energy: -143.086
flat angles P-C4'-P energy: -90.416
tors. eta vs tors. theta energy: -20.823
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: 405
Temperature: 1.300000
Total energy: -955.357990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.357990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.357990 (E_RNA)
where:
Base-Base interactions energy: -475.178
where: short stacking energy: -265.311
Base-Backbone interact. energy: -0.995
local terms energy: -479.184918
where:
bonds (distance) C4'-P energy: -138.454
bonds (distance) P-C4' energy: -146.066
flat angles C4'-P-C4' energy: -124.644
flat angles P-C4'-P energy: -74.197
tors. eta vs tors. theta energy: 4.177
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: 10, replica: 4
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -791.510242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.510242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.510242 (E_RNA)
where:
Base-Base interactions energy: -312.570
where: short stacking energy: -200.987
Base-Backbone interact. energy: -3.273
local terms energy: -475.666831
where:
bonds (distance) C4'-P energy: -152.449
bonds (distance) P-C4' energy: -161.127
flat angles C4'-P-C4' energy: -116.535
flat angles P-C4'-P energy: -65.966
tors. eta vs tors. theta energy: 20.410
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: 7
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -3022.749662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3022.749662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3022.749662 (E_RNA)
where:
Base-Base interactions energy: -2067.104
where: short stacking energy: -874.764
Base-Backbone interact. energy: -2.388
local terms energy: -953.257188
where:
bonds (distance) C4'-P energy: -177.009
bonds (distance) P-C4' energy: -183.725
flat angles C4'-P-C4' energy: -216.479
flat angles P-C4'-P energy: -126.923
tors. eta vs tors. theta energy: -249.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -2941.819766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2941.819766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2941.819766 (E_RNA)
where:
Base-Base interactions energy: -2022.074
where: short stacking energy: -818.560
Base-Backbone interact. energy: -7.186
local terms energy: -912.559661
where:
bonds (distance) C4'-P energy: -166.876
bonds (distance) P-C4' energy: -172.508
flat angles C4'-P-C4' energy: -186.766
flat angles P-C4'-P energy: -141.507
tors. eta vs tors. theta energy: -244.902
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: 3, replica: 3
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -2685.452949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2685.452949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2685.452949 (E_RNA)
where:
Base-Base interactions energy: -1835.939
where: short stacking energy: -740.091
Base-Backbone interact. energy: -3.278
local terms energy: -846.235897
where:
bonds (distance) C4'-P energy: -161.882
bonds (distance) P-C4' energy: -185.335
flat angles C4'-P-C4' energy: -181.735
flat angles P-C4'-P energy: -121.571
tors. eta vs tors. theta energy: -195.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -2572.542294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.542294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2572.542294 (E_RNA)
where:
Base-Base interactions energy: -1743.776
where: short stacking energy: -722.669
Base-Backbone interact. energy: -0.084
local terms energy: -828.682156
where:
bonds (distance) C4'-P energy: -153.275
bonds (distance) P-C4' energy: -165.793
flat angles C4'-P-C4' energy: -182.107
flat angles P-C4'-P energy: -107.357
tors. eta vs tors. theta energy: -220.150
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: 406
Temperature: 1.100000
Total energy: -2257.864345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2257.864345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2257.864345 (E_RNA)
where:
Base-Base interactions energy: -1492.346
where: short stacking energy: -620.156
Base-Backbone interact. energy: -1.857
local terms energy: -763.661988
where:
bonds (distance) C4'-P energy: -157.872
bonds (distance) P-C4' energy: -169.543
flat angles C4'-P-C4' energy: -161.030
flat angles P-C4'-P energy: -121.764
tors. eta vs tors. theta energy: -153.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -2126.367870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.367870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.367870 (E_RNA)
where:
Base-Base interactions energy: -1412.925
where: short stacking energy: -586.386
Base-Backbone interact. energy: -1.766
local terms energy: -711.676361
where:
bonds (distance) C4'-P energy: -140.593
bonds (distance) P-C4' energy: -165.282
flat angles C4'-P-C4' energy: -164.281
flat angles P-C4'-P energy: -92.784
tors. eta vs tors. theta energy: -148.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -1931.504176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.504176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.504176 (E_RNA)
where:
Base-Base interactions energy: -1262.758
where: short stacking energy: -573.295
Base-Backbone interact. energy: -4.391
local terms energy: -664.354672
where:
bonds (distance) C4'-P energy: -132.722
bonds (distance) P-C4' energy: -148.202
flat angles C4'-P-C4' energy: -147.322
flat angles P-C4'-P energy: -91.627
tors. eta vs tors. theta energy: -144.482
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: 8
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -1262.754790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.754790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.754790 (E_RNA)
where:
Base-Base interactions energy: -700.908
where: short stacking energy: -355.764
Base-Backbone interact. energy: -2.544
local terms energy: -559.303642
where:
bonds (distance) C4'-P energy: -171.203
bonds (distance) P-C4' energy: -145.227
flat angles C4'-P-C4' energy: -135.121
flat angles P-C4'-P energy: -73.593
tors. eta vs tors. theta energy: -34.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -958.147197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.147197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.147197 (E_RNA)
where:
Base-Base interactions energy: -465.755
where: short stacking energy: -275.941
Base-Backbone interact. energy: -0.206
local terms energy: -492.186002
where:
bonds (distance) C4'-P energy: -145.102
bonds (distance) P-C4' energy: -143.768
flat angles C4'-P-C4' energy: -131.538
flat angles P-C4'-P energy: -64.490
tors. eta vs tors. theta energy: -7.287
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: 4
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -797.916287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.916287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.916287 (E_RNA)
where:
Base-Base interactions energy: -337.430
where: short stacking energy: -217.053
Base-Backbone interact. energy: -0.516
local terms energy: -459.970150
where:
bonds (distance) C4'-P energy: -141.944
bonds (distance) P-C4' energy: -146.005
flat angles C4'-P-C4' energy: -119.721
flat angles P-C4'-P energy: -67.518
tors. eta vs tors. theta energy: 15.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -3046.976558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3046.976558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3046.976558 (E_RNA)
where:
Base-Base interactions energy: -2114.566
where: short stacking energy: -907.501
Base-Backbone interact. energy: -1.628
local terms energy: -930.783440
where:
bonds (distance) C4'-P energy: -174.979
bonds (distance) P-C4' energy: -166.731
flat angles C4'-P-C4' energy: -209.337
flat angles P-C4'-P energy: -130.255
tors. eta vs tors. theta energy: -249.482
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: 10
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -2963.869283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2963.869283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2963.869283 (E_RNA)
where:
Base-Base interactions energy: -2026.045
where: short stacking energy: -825.432
Base-Backbone interact. energy: -5.020
local terms energy: -932.804849
where:
bonds (distance) C4'-P energy: -174.304
bonds (distance) P-C4' energy: -178.610
flat angles C4'-P-C4' energy: -204.136
flat angles P-C4'-P energy: -123.857
tors. eta vs tors. theta energy: -251.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -2740.926184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2740.926184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2740.926184 (E_RNA)
where:
Base-Base interactions energy: -1893.035
where: short stacking energy: -736.375
Base-Backbone interact. energy: -3.648
local terms energy: -844.243351
where:
bonds (distance) C4'-P energy: -153.280
bonds (distance) P-C4' energy: -181.227
flat angles C4'-P-C4' energy: -178.904
flat angles P-C4'-P energy: -109.733
tors. eta vs tors. theta energy: -221.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -2575.744763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2575.744763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2575.744763 (E_RNA)
where:
Base-Base interactions energy: -1724.412
where: short stacking energy: -693.304
Base-Backbone interact. energy: -1.340
local terms energy: -849.992655
where:
bonds (distance) C4'-P energy: -186.027
bonds (distance) P-C4' energy: -178.924
flat angles C4'-P-C4' energy: -163.389
flat angles P-C4'-P energy: -108.053
tors. eta vs tors. theta energy: -213.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -2314.899804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.899804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2314.899804 (E_RNA)
where:
Base-Base interactions energy: -1531.300
where: short stacking energy: -675.445
Base-Backbone interact. energy: -2.709
local terms energy: -780.890574
where:
bonds (distance) C4'-P energy: -149.661
bonds (distance) P-C4' energy: -155.405
flat angles C4'-P-C4' energy: -179.526
flat angles P-C4'-P energy: -117.169
tors. eta vs tors. theta energy: -179.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -2103.347673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.347673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.347673 (E_RNA)
where:
Base-Base interactions energy: -1388.646
where: short stacking energy: -565.380
Base-Backbone interact. energy: -0.308
local terms energy: -714.393636
where:
bonds (distance) C4'-P energy: -162.259
bonds (distance) P-C4' energy: -152.360
flat angles C4'-P-C4' energy: -171.435
flat angles P-C4'-P energy: -93.544
tors. eta vs tors. theta energy: -134.795
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: 5
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -1910.686201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.686201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.686201 (E_RNA)
where:
Base-Base interactions energy: -1227.576
where: short stacking energy: -527.727
Base-Backbone interact. energy: -0.873
local terms energy: -682.237167
where:
bonds (distance) C4'-P energy: -139.414
bonds (distance) P-C4' energy: -165.851
flat angles C4'-P-C4' energy: -157.751
flat angles P-C4'-P energy: -95.885
tors. eta vs tors. theta energy: -123.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -1245.507522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.507522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.507522 (E_RNA)
where:
Base-Base interactions energy: -686.930
where: short stacking energy: -333.608
Base-Backbone interact. energy: 3.291
local terms energy: -561.869122
where:
bonds (distance) C4'-P energy: -142.291
bonds (distance) P-C4' energy: -153.704
flat angles C4'-P-C4' energy: -153.771
flat angles P-C4'-P energy: -80.169
tors. eta vs tors. theta energy: -31.933
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: 2
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -971.697624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.697624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.697624 (E_RNA)
where:
Base-Base interactions energy: -466.498
where: short stacking energy: -267.365
Base-Backbone interact. energy: -2.460
local terms energy: -502.739863
where:
bonds (distance) C4'-P energy: -147.024
bonds (distance) P-C4' energy: -133.643
flat angles C4'-P-C4' energy: -140.081
flat angles P-C4'-P energy: -87.177
tors. eta vs tors. theta energy: 5.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -813.407983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.407983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.407983 (E_RNA)
where:
Base-Base interactions energy: -354.202
where: short stacking energy: -239.891
Base-Backbone interact. energy: -1.005
local terms energy: -458.200603
where:
bonds (distance) C4'-P energy: -140.944
bonds (distance) P-C4' energy: -141.034
flat angles C4'-P-C4' energy: -122.650
flat angles P-C4'-P energy: -65.101
tors. eta vs tors. theta energy: 11.528
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: 1, replica: 7
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -3005.923528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3005.923528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3005.923528 (E_RNA)
where:
Base-Base interactions energy: -2083.740
where: short stacking energy: -875.429
Base-Backbone interact. energy: -1.718
local terms energy: -920.465736
where:
bonds (distance) C4'-P energy: -171.981
bonds (distance) P-C4' energy: -169.071
flat angles C4'-P-C4' energy: -190.180
flat angles P-C4'-P energy: -121.858
tors. eta vs tors. theta energy: -267.376
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: 2, replica: 10
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -2919.573504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2919.573504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2919.573504 (E_RNA)
where:
Base-Base interactions energy: -2007.386
where: short stacking energy: -838.206
Base-Backbone interact. energy: -7.284
local terms energy: -904.903263
where:
bonds (distance) C4'-P energy: -151.875
bonds (distance) P-C4' energy: -173.647
flat angles C4'-P-C4' energy: -203.783
flat angles P-C4'-P energy: -113.168
tors. eta vs tors. theta energy: -262.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -2736.515396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2736.515396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2736.515396 (E_RNA)
where:
Base-Base interactions energy: -1866.564
where: short stacking energy: -765.495
Base-Backbone interact. energy: -4.538
local terms energy: -865.412852
where:
bonds (distance) C4'-P energy: -158.075
bonds (distance) P-C4' energy: -166.120
flat angles C4'-P-C4' energy: -188.666
flat angles P-C4'-P energy: -119.230
tors. eta vs tors. theta energy: -233.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -2586.374464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2586.374464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2586.374464 (E_RNA)
where:
Base-Base interactions energy: -1749.534
where: short stacking energy: -726.355
Base-Backbone interact. energy: -1.081
local terms energy: -835.758600
where:
bonds (distance) C4'-P energy: -151.976
bonds (distance) P-C4' energy: -151.687
flat angles C4'-P-C4' energy: -187.761
flat angles P-C4'-P energy: -126.845
tors. eta vs tors. theta energy: -217.490
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: 6
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -2397.857511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2397.857511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2397.857511 (E_RNA)
where:
Base-Base interactions energy: -1599.205
where: short stacking energy: -690.676
Base-Backbone interact. energy: 0.238
local terms energy: -798.890784
where:
bonds (distance) C4'-P energy: -151.916
bonds (distance) P-C4' energy: -151.817
flat angles C4'-P-C4' energy: -177.759
flat angles P-C4'-P energy: -119.717
tors. eta vs tors. theta energy: -197.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -2103.268018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.268018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.268018 (E_RNA)
where:
Base-Base interactions energy: -1391.535
where: short stacking energy: -607.943
Base-Backbone interact. energy: 0.229
local terms energy: -711.962492
where:
bonds (distance) C4'-P energy: -140.015
bonds (distance) P-C4' energy: -161.965
flat angles C4'-P-C4' energy: -146.743
flat angles P-C4'-P energy: -101.096
tors. eta vs tors. theta energy: -162.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -1911.829622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.829622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.829622 (E_RNA)
where:
Base-Base interactions energy: -1216.344
where: short stacking energy: -561.363
Base-Backbone interact. energy: -3.569
local terms energy: -691.916445
where:
bonds (distance) C4'-P energy: -136.774
bonds (distance) P-C4' energy: -133.714
flat angles C4'-P-C4' energy: -164.254
flat angles P-C4'-P energy: -110.765
tors. eta vs tors. theta energy: -146.410
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: 8
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -1319.407044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.407044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.407044 (E_RNA)
where:
Base-Base interactions energy: -725.834
where: short stacking energy: -352.353
Base-Backbone interact. energy: 3.576
local terms energy: -597.149204
where:
bonds (distance) C4'-P energy: -136.647
bonds (distance) P-C4' energy: -179.097
flat angles C4'-P-C4' energy: -141.510
flat angles P-C4'-P energy: -91.847
tors. eta vs tors. theta energy: -48.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -865.899095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.899095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.899095 (E_RNA)
where:
Base-Base interactions energy: -404.407
where: short stacking energy: -242.630
Base-Backbone interact. energy: 5.201
local terms energy: -466.693460
where:
bonds (distance) C4'-P energy: -131.698
bonds (distance) P-C4' energy: -156.162
flat angles C4'-P-C4' energy: -126.004
flat angles P-C4'-P energy: -80.935
tors. eta vs tors. theta energy: 28.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -865.889928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.889928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.889928 (E_RNA)
where:
Base-Base interactions energy: -421.555
where: short stacking energy: -236.279
Base-Backbone interact. energy: 0.305
local terms energy: -444.640558
where:
bonds (distance) C4'-P energy: -125.021
bonds (distance) P-C4' energy: -134.575
flat angles C4'-P-C4' energy: -119.838
flat angles P-C4'-P energy: -89.400
tors. eta vs tors. theta energy: 24.194
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: 1, replica: 7
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -2999.165760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2999.165760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2999.165760 (E_RNA)
where:
Base-Base interactions energy: -2048.456
where: short stacking energy: -860.890
Base-Backbone interact. energy: -3.052
local terms energy: -947.657210
where:
bonds (distance) C4'-P energy: -183.882
bonds (distance) P-C4' energy: -179.978
flat angles C4'-P-C4' energy: -195.528
flat angles P-C4'-P energy: -130.622
tors. eta vs tors. theta energy: -257.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -2968.796797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2968.796797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2968.796797 (E_RNA)
where:
Base-Base interactions energy: -2021.742
where: short stacking energy: -867.780
Base-Backbone interact. energy: -8.316
local terms energy: -938.739037
where:
bonds (distance) C4'-P energy: -160.897
bonds (distance) P-C4' energy: -165.975
flat angles C4'-P-C4' energy: -196.456
flat angles P-C4'-P energy: -142.631
tors. eta vs tors. theta energy: -272.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -2708.089115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2708.089115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2708.089115 (E_RNA)
where:
Base-Base interactions energy: -1873.419
where: short stacking energy: -726.693
Base-Backbone interact. energy: -4.020
local terms energy: -830.650274
where:
bonds (distance) C4'-P energy: -173.177
bonds (distance) P-C4' energy: -160.394
flat angles C4'-P-C4' energy: -181.718
flat angles P-C4'-P energy: -113.030
tors. eta vs tors. theta energy: -202.330
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: 1
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -2607.007972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2607.007972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2607.007972 (E_RNA)
where:
Base-Base interactions energy: -1811.439
where: short stacking energy: -718.519
Base-Backbone interact. energy: 1.048
local terms energy: -796.616418
where:
bonds (distance) C4'-P energy: -130.459
bonds (distance) P-C4' energy: -171.106
flat angles C4'-P-C4' energy: -183.427
flat angles P-C4'-P energy: -118.256
tors. eta vs tors. theta energy: -193.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -2464.364720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2464.364720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2464.364720 (E_RNA)
where:
Base-Base interactions energy: -1656.355
where: short stacking energy: -695.194
Base-Backbone interact. energy: -2.181
local terms energy: -805.829667
where:
bonds (distance) C4'-P energy: -164.508
bonds (distance) P-C4' energy: -159.273
flat angles C4'-P-C4' energy: -181.848
flat angles P-C4'-P energy: -105.285
tors. eta vs tors. theta energy: -194.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -2172.714160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2172.714160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2172.714160 (E_RNA)
where:
Base-Base interactions energy: -1398.069
where: short stacking energy: -620.158
Base-Backbone interact. energy: -6.097
local terms energy: -768.548541
where:
bonds (distance) C4'-P energy: -152.729
bonds (distance) P-C4' energy: -159.698
flat angles C4'-P-C4' energy: -181.465
flat angles P-C4'-P energy: -107.828
tors. eta vs tors. theta energy: -166.827
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: 409
Temperature: 1.200000
Total energy: -1999.779811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.779811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.779811 (E_RNA)
where:
Base-Base interactions energy: -1300.566
where: short stacking energy: -563.573
Base-Backbone interact. energy: 0.444
local terms energy: -699.657286
where:
bonds (distance) C4'-P energy: -164.230
bonds (distance) P-C4' energy: -151.165
flat angles C4'-P-C4' energy: -154.025
flat angles P-C4'-P energy: -97.425
tors. eta vs tors. theta energy: -132.813
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: 409
Temperature: 1.250000
Total energy: -1319.634735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.634735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.634735 (E_RNA)
where:
Base-Base interactions energy: -727.943
where: short stacking energy: -358.471
Base-Backbone interact. energy: -3.826
local terms energy: -587.865782
where:
bonds (distance) C4'-P energy: -146.481
bonds (distance) P-C4' energy: -160.434
flat angles C4'-P-C4' energy: -137.653
flat angles P-C4'-P energy: -95.727
tors. eta vs tors. theta energy: -47.570
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: 4
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -892.418438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.418438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.418438 (E_RNA)
where:
Base-Base interactions energy: -395.889
where: short stacking energy: -206.660
Base-Backbone interact. energy: -2.313
local terms energy: -494.216666
where:
bonds (distance) C4'-P energy: -142.186
bonds (distance) P-C4' energy: -166.001
flat angles C4'-P-C4' energy: -114.164
flat angles P-C4'-P energy: -79.741
tors. eta vs tors. theta energy: 7.875
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: 10, replica: 2
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -905.053853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.053853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.053853 (E_RNA)
where:
Base-Base interactions energy: -421.712
where: short stacking energy: -248.928
Base-Backbone interact. energy: -0.861
local terms energy: -482.480539
where:
bonds (distance) C4'-P energy: -146.696
bonds (distance) P-C4' energy: -143.970
flat angles C4'-P-C4' energy: -125.420
flat angles P-C4'-P energy: -55.693
tors. eta vs tors. theta energy: -10.701
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: 410
Temperature: 0.900000
Total energy: -2994.692860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2994.692860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2994.692860 (E_RNA)
where:
Base-Base interactions energy: -2052.597
where: short stacking energy: -875.928
Base-Backbone interact. energy: -4.077
local terms energy: -938.018074
where:
bonds (distance) C4'-P energy: -161.274
bonds (distance) P-C4' energy: -183.196
flat angles C4'-P-C4' energy: -189.774
flat angles P-C4'-P energy: -145.640
tors. eta vs tors. theta energy: -258.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -2969.067072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2969.067072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2969.067072 (E_RNA)
where:
Base-Base interactions energy: -2045.434
where: short stacking energy: -850.777
Base-Backbone interact. energy: -4.555
local terms energy: -919.078181
where:
bonds (distance) C4'-P energy: -165.240
bonds (distance) P-C4' energy: -190.573
flat angles C4'-P-C4' energy: -187.190
flat angles P-C4'-P energy: -114.492
tors. eta vs tors. theta energy: -261.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -2695.008785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2695.008785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2695.008785 (E_RNA)
where:
Base-Base interactions energy: -1842.843
where: short stacking energy: -771.096
Base-Backbone interact. energy: -4.407
local terms energy: -847.758654
where:
bonds (distance) C4'-P energy: -147.505
bonds (distance) P-C4' energy: -175.016
flat angles C4'-P-C4' energy: -196.395
flat angles P-C4'-P energy: -100.923
tors. eta vs tors. theta energy: -227.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -2550.932182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.932182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2550.932182 (E_RNA)
where:
Base-Base interactions energy: -1685.903
where: short stacking energy: -714.956
Base-Backbone interact. energy: -2.279
local terms energy: -862.750079
where:
bonds (distance) C4'-P energy: -169.463
bonds (distance) P-C4' energy: -174.666
flat angles C4'-P-C4' energy: -191.790
flat angles P-C4'-P energy: -124.905
tors. eta vs tors. theta energy: -201.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -2420.908138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2420.908138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2420.908138 (E_RNA)
where:
Base-Base interactions energy: -1608.038
where: short stacking energy: -671.372
Base-Backbone interact. energy: 5.460
local terms energy: -818.330269
where:
bonds (distance) C4'-P energy: -145.841
bonds (distance) P-C4' energy: -180.789
flat angles C4'-P-C4' energy: -171.742
flat angles P-C4'-P energy: -124.790
tors. eta vs tors. theta energy: -195.169
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: 6, replica: 9
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -2207.328468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.328468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.328468 (E_RNA)
where:
Base-Base interactions energy: -1469.583
where: short stacking energy: -637.058
Base-Backbone interact. energy: 4.856
local terms energy: -742.601052
where:
bonds (distance) C4'-P energy: -161.793
bonds (distance) P-C4' energy: -163.698
flat angles C4'-P-C4' energy: -147.509
flat angles P-C4'-P energy: -104.533
tors. eta vs tors. theta energy: -165.068
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: 5
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -1999.049648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.049648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.049648 (E_RNA)
where:
Base-Base interactions energy: -1306.280
where: short stacking energy: -590.142
Base-Backbone interact. energy: 1.985
local terms energy: -694.754490
where:
bonds (distance) C4'-P energy: -147.596
bonds (distance) P-C4' energy: -144.069
flat angles C4'-P-C4' energy: -162.001
flat angles P-C4'-P energy: -102.678
tors. eta vs tors. theta energy: -138.410
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: 8
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -1342.437290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.437290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.437290 (E_RNA)
where:
Base-Base interactions energy: -745.281
where: short stacking energy: -383.004
Base-Backbone interact. energy: -3.835
local terms energy: -593.321681
where:
bonds (distance) C4'-P energy: -140.761
bonds (distance) P-C4' energy: -152.091
flat angles C4'-P-C4' energy: -155.984
flat angles P-C4'-P energy: -83.314
tors. eta vs tors. theta energy: -61.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -940.177893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.177893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.177893 (E_RNA)
where:
Base-Base interactions energy: -451.548
where: short stacking energy: -275.241
Base-Backbone interact. energy: 1.577
local terms energy: -490.206888
where:
bonds (distance) C4'-P energy: -144.099
bonds (distance) P-C4' energy: -126.286
flat angles C4'-P-C4' energy: -129.087
flat angles P-C4'-P energy: -88.655
tors. eta vs tors. theta energy: -2.080
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: 4
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -797.862977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.862977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.862977 (E_RNA)
where:
Base-Base interactions energy: -358.136
where: short stacking energy: -185.917
Base-Backbone interact. energy: 8.358
local terms energy: -448.085264
where:
bonds (distance) C4'-P energy: -129.000
bonds (distance) P-C4' energy: -145.138
flat angles C4'-P-C4' energy: -141.937
flat angles P-C4'-P energy: -86.315
tors. eta vs tors. theta energy: 54.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -2989.062892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2989.062892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2989.062892 (E_RNA)
where:
Base-Base interactions energy: -2048.337
where: short stacking energy: -863.774
Base-Backbone interact. energy: -2.480
local terms energy: -938.245884
where:
bonds (distance) C4'-P energy: -171.469
bonds (distance) P-C4' energy: -175.370
flat angles C4'-P-C4' energy: -211.039
flat angles P-C4'-P energy: -119.462
tors. eta vs tors. theta energy: -260.907
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: 10
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -2922.418895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2922.418895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2922.418895 (E_RNA)
where:
Base-Base interactions energy: -1973.772
where: short stacking energy: -823.288
Base-Backbone interact. energy: -4.048
local terms energy: -944.598680
where:
bonds (distance) C4'-P energy: -174.836
bonds (distance) P-C4' energy: -180.628
flat angles C4'-P-C4' energy: -212.364
flat angles P-C4'-P energy: -134.977
tors. eta vs tors. theta energy: -241.793
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: 411
Temperature: 1.000000
Total energy: -2693.359501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2693.359501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2693.359501 (E_RNA)
where:
Base-Base interactions energy: -1819.504
where: short stacking energy: -772.015
Base-Backbone interact. energy: -3.407
local terms energy: -870.447987
where:
bonds (distance) C4'-P energy: -165.280
bonds (distance) P-C4' energy: -181.596
flat angles C4'-P-C4' energy: -188.570
flat angles P-C4'-P energy: -117.956
tors. eta vs tors. theta energy: -217.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -2568.833108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2568.833108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2568.833108 (E_RNA)
where:
Base-Base interactions energy: -1726.703
where: short stacking energy: -731.102
Base-Backbone interact. energy: 1.589
local terms energy: -843.719350
where:
bonds (distance) C4'-P energy: -158.363
bonds (distance) P-C4' energy: -178.146
flat angles C4'-P-C4' energy: -164.731
flat angles P-C4'-P energy: -119.695
tors. eta vs tors. theta energy: -222.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -2374.153671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2374.153671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2374.153671 (E_RNA)
where:
Base-Base interactions energy: -1568.165
where: short stacking energy: -702.477
Base-Backbone interact. energy: -1.159
local terms energy: -804.829781
where:
bonds (distance) C4'-P energy: -158.519
bonds (distance) P-C4' energy: -156.408
flat angles C4'-P-C4' energy: -167.863
flat angles P-C4'-P energy: -128.316
tors. eta vs tors. theta energy: -193.724
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: 9
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -2202.403736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2202.403736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2202.403736 (E_RNA)
where:
Base-Base interactions energy: -1446.632
where: short stacking energy: -625.908
Base-Backbone interact. energy: -0.802
local terms energy: -754.970001
where:
bonds (distance) C4'-P energy: -140.705
bonds (distance) P-C4' energy: -167.297
flat angles C4'-P-C4' energy: -174.613
flat angles P-C4'-P energy: -106.122
tors. eta vs tors. theta energy: -166.233
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: 7, replica: 5
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -1817.815925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.815925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.815925 (E_RNA)
where:
Base-Base interactions energy: -1151.442
where: short stacking energy: -506.074
Base-Backbone interact. energy: 5.628
local terms energy: -672.002430
where:
bonds (distance) C4'-P energy: -138.518
bonds (distance) P-C4' energy: -161.505
flat angles C4'-P-C4' energy: -156.199
flat angles P-C4'-P energy: -82.363
tors. eta vs tors. theta energy: -133.418
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: 411
Temperature: 1.250000
Total energy: -1331.035427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.035427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.035427 (E_RNA)
where:
Base-Base interactions energy: -705.713
where: short stacking energy: -338.724
Base-Backbone interact. energy: -0.955
local terms energy: -624.367149
where:
bonds (distance) C4'-P energy: -170.363
bonds (distance) P-C4' energy: -168.137
flat angles C4'-P-C4' energy: -146.156
flat angles P-C4'-P energy: -92.975
tors. eta vs tors. theta energy: -46.737
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: 411
Temperature: 1.300000
Total energy: -934.021785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.021785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.021785 (E_RNA)
where:
Base-Base interactions energy: -417.304
where: short stacking energy: -243.316
Base-Backbone interact. energy: 0.274
local terms energy: -516.991651
where:
bonds (distance) C4'-P energy: -151.758
bonds (distance) P-C4' energy: -138.650
flat angles C4'-P-C4' energy: -127.628
flat angles P-C4'-P energy: -80.106
tors. eta vs tors. theta energy: -18.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -819.301980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.301980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.301980 (E_RNA)
where:
Base-Base interactions energy: -367.479
where: short stacking energy: -223.855
Base-Backbone interact. energy: 11.697
local terms energy: -463.520942
where:
bonds (distance) C4'-P energy: -147.236
bonds (distance) P-C4' energy: -147.399
flat angles C4'-P-C4' energy: -119.755
flat angles P-C4'-P energy: -63.899
tors. eta vs tors. theta energy: 14.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -2987.824772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2987.824772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2987.824772 (E_RNA)
where:
Base-Base interactions energy: -2027.597
where: short stacking energy: -855.873
Base-Backbone interact. energy: -3.836
local terms energy: -956.391935
where:
bonds (distance) C4'-P energy: -168.272
bonds (distance) P-C4' energy: -195.461
flat angles C4'-P-C4' energy: -197.854
flat angles P-C4'-P energy: -128.261
tors. eta vs tors. theta energy: -266.544
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: 10
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -2954.823791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2954.823791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2954.823791 (E_RNA)
where:
Base-Base interactions energy: -2027.195
where: short stacking energy: -830.392
Base-Backbone interact. energy: -3.051
local terms energy: -924.578368
where:
bonds (distance) C4'-P energy: -180.499
bonds (distance) P-C4' energy: -175.231
flat angles C4'-P-C4' energy: -187.917
flat angles P-C4'-P energy: -129.603
tors. eta vs tors. theta energy: -251.328
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: 3
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -2734.552043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2734.552043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2734.552043 (E_RNA)
where:
Base-Base interactions energy: -1874.805
where: short stacking energy: -767.454
Base-Backbone interact. energy: 2.910
local terms energy: -862.656750
where:
bonds (distance) C4'-P energy: -151.938
bonds (distance) P-C4' energy: -179.998
flat angles C4'-P-C4' energy: -198.399
flat angles P-C4'-P energy: -110.351
tors. eta vs tors. theta energy: -221.971
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: 4, replica: 1
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -2682.688162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2682.688162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2682.688162 (E_RNA)
where:
Base-Base interactions energy: -1806.722
where: short stacking energy: -741.899
Base-Backbone interact. energy: -5.908
local terms energy: -870.057303
where:
bonds (distance) C4'-P energy: -160.432
bonds (distance) P-C4' energy: -186.689
flat angles C4'-P-C4' energy: -183.287
flat angles P-C4'-P energy: -115.655
tors. eta vs tors. theta energy: -223.994
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: 6
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -2386.949994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2386.949994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2386.949994 (E_RNA)
where:
Base-Base interactions energy: -1604.314
where: short stacking energy: -723.031
Base-Backbone interact. energy: -2.982
local terms energy: -779.654034
where:
bonds (distance) C4'-P energy: -149.979
bonds (distance) P-C4' energy: -153.040
flat angles C4'-P-C4' energy: -178.163
flat angles P-C4'-P energy: -103.030
tors. eta vs tors. theta energy: -195.442
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: 6, replica: 9
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -2179.634821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.634821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2179.634821 (E_RNA)
where:
Base-Base interactions energy: -1425.950
where: short stacking energy: -596.246
Base-Backbone interact. energy: 8.776
local terms energy: -762.460969
where:
bonds (distance) C4'-P energy: -153.963
bonds (distance) P-C4' energy: -166.363
flat angles C4'-P-C4' energy: -167.231
flat angles P-C4'-P energy: -97.036
tors. eta vs tors. theta energy: -177.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -1887.399801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.399801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.399801 (E_RNA)
where:
Base-Base interactions energy: -1185.475
where: short stacking energy: -521.467
Base-Backbone interact. energy: -0.198
local terms energy: -701.726286
where:
bonds (distance) C4'-P energy: -155.413
bonds (distance) P-C4' energy: -149.022
flat angles C4'-P-C4' energy: -145.097
flat angles P-C4'-P energy: -111.284
tors. eta vs tors. theta energy: -140.911
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: 8
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -1328.118723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.118723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.118723 (E_RNA)
where:
Base-Base interactions energy: -788.895
where: short stacking energy: -358.251
Base-Backbone interact. energy: -5.913
local terms energy: -533.310485
where:
bonds (distance) C4'-P energy: -131.227
bonds (distance) P-C4' energy: -146.464
flat angles C4'-P-C4' energy: -131.000
flat angles P-C4'-P energy: -94.124
tors. eta vs tors. theta energy: -30.496
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: 2
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -946.387836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.387836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.387836 (E_RNA)
where:
Base-Base interactions energy: -446.736
where: short stacking energy: -268.177
Base-Backbone interact. energy: -0.047
local terms energy: -499.604610
where:
bonds (distance) C4'-P energy: -150.220
bonds (distance) P-C4' energy: -128.053
flat angles C4'-P-C4' energy: -133.633
flat angles P-C4'-P energy: -89.516
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: 10, replica: 4
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -800.145743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.145743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.145743 (E_RNA)
where:
Base-Base interactions energy: -364.734
where: short stacking energy: -239.737
Base-Backbone interact. energy: 4.911
local terms energy: -440.322504
where:
bonds (distance) C4'-P energy: -123.479
bonds (distance) P-C4' energy: -149.303
flat angles C4'-P-C4' energy: -123.585
flat angles P-C4'-P energy: -65.719
tors. eta vs tors. theta energy: 21.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -3046.298168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3046.298168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3046.298168 (E_RNA)
where:
Base-Base interactions energy: -2081.909
where: short stacking energy: -873.745
Base-Backbone interact. energy: -4.187
local terms energy: -960.202007
where:
bonds (distance) C4'-P energy: -185.920
bonds (distance) P-C4' energy: -188.677
flat angles C4'-P-C4' energy: -209.501
flat angles P-C4'-P energy: -112.184
tors. eta vs tors. theta energy: -263.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -2984.607609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2984.607609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2984.607609 (E_RNA)
where:
Base-Base interactions energy: -2044.452
where: short stacking energy: -859.107
Base-Backbone interact. energy: -6.526
local terms energy: -933.629824
where:
bonds (distance) C4'-P energy: -179.930
bonds (distance) P-C4' energy: -171.688
flat angles C4'-P-C4' energy: -214.951
flat angles P-C4'-P energy: -116.257
tors. eta vs tors. theta energy: -250.804
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: 3
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -2701.887285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2701.887285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2701.887285 (E_RNA)
where:
Base-Base interactions energy: -1853.699
where: short stacking energy: -763.889
Base-Backbone interact. energy: -3.746
local terms energy: -844.442576
where:
bonds (distance) C4'-P energy: -163.818
bonds (distance) P-C4' energy: -160.158
flat angles C4'-P-C4' energy: -182.126
flat angles P-C4'-P energy: -105.801
tors. eta vs tors. theta energy: -232.540
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: 4, replica: 1
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -2613.295182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2613.295182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2613.295182 (E_RNA)
where:
Base-Base interactions energy: -1754.153
where: short stacking energy: -724.603
Base-Backbone interact. energy: -3.904
local terms energy: -855.237827
where:
bonds (distance) C4'-P energy: -163.370
bonds (distance) P-C4' energy: -173.736
flat angles C4'-P-C4' energy: -184.079
flat angles P-C4'-P energy: -115.604
tors. eta vs tors. theta energy: -218.449
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: 5, replica: 6
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -2456.123172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2456.123172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2456.123172 (E_RNA)
where:
Base-Base interactions energy: -1670.814
where: short stacking energy: -719.301
Base-Backbone interact. energy: -2.890
local terms energy: -782.418892
where:
bonds (distance) C4'-P energy: -150.104
bonds (distance) P-C4' energy: -159.256
flat angles C4'-P-C4' energy: -166.314
flat angles P-C4'-P energy: -107.710
tors. eta vs tors. theta energy: -199.035
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: 6, replica: 9
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -2158.271224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2158.271224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2158.271224 (E_RNA)
where:
Base-Base interactions energy: -1398.940
where: short stacking energy: -616.649
Base-Backbone interact. energy: -5.035
local terms energy: -754.296171
where:
bonds (distance) C4'-P energy: -152.647
bonds (distance) P-C4' energy: -150.586
flat angles C4'-P-C4' energy: -179.589
flat angles P-C4'-P energy: -108.035
tors. eta vs tors. theta energy: -163.439
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: 5
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -1947.458851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.458851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.458851 (E_RNA)
where:
Base-Base interactions energy: -1268.871
where: short stacking energy: -559.593
Base-Backbone interact. energy: -2.197
local terms energy: -676.390428
where:
bonds (distance) C4'-P energy: -149.662
bonds (distance) P-C4' energy: -133.504
flat angles C4'-P-C4' energy: -157.605
flat angles P-C4'-P energy: -94.431
tors. eta vs tors. theta energy: -141.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -1358.198030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.198030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.198030 (E_RNA)
where:
Base-Base interactions energy: -753.150
where: short stacking energy: -364.300
Base-Backbone interact. energy: -1.862
local terms energy: -603.185525
where:
bonds (distance) C4'-P energy: -146.668
bonds (distance) P-C4' energy: -159.255
flat angles C4'-P-C4' energy: -161.671
flat angles P-C4'-P energy: -90.289
tors. eta vs tors. theta energy: -45.303
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: 413
Temperature: 1.300000
Total energy: -931.060560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.060560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.060560 (E_RNA)
where:
Base-Base interactions energy: -476.109
where: short stacking energy: -248.505
Base-Backbone interact. energy: -2.078
local terms energy: -452.873946
where:
bonds (distance) C4'-P energy: -126.999
bonds (distance) P-C4' energy: -165.956
flat angles C4'-P-C4' energy: -126.341
flat angles P-C4'-P energy: -50.851
tors. eta vs tors. theta energy: 17.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -786.615432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.615432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.615432 (E_RNA)
where:
Base-Base interactions energy: -399.328
where: short stacking energy: -239.460
Base-Backbone interact. energy: 5.496
local terms energy: -392.783795
where:
bonds (distance) C4'-P energy: -124.227
bonds (distance) P-C4' energy: -146.715
flat angles C4'-P-C4' energy: -105.104
flat angles P-C4'-P energy: -38.408
tors. eta vs tors. theta energy: 21.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -3033.391222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3033.391222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3033.391222 (E_RNA)
where:
Base-Base interactions energy: -2068.929
where: short stacking energy: -888.337
Base-Backbone interact. energy: -3.493
local terms energy: -960.969891
where:
bonds (distance) C4'-P energy: -184.741
bonds (distance) P-C4' energy: -169.170
flat angles C4'-P-C4' energy: -214.726
flat angles P-C4'-P energy: -129.761
tors. eta vs tors. theta energy: -262.572
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: 2, replica: 10
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -2924.611825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2924.611825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2924.611825 (E_RNA)
where:
Base-Base interactions energy: -1969.981
where: short stacking energy: -830.811
Base-Backbone interact. energy: -6.726
local terms energy: -947.905045
where:
bonds (distance) C4'-P energy: -183.592
bonds (distance) P-C4' energy: -184.608
flat angles C4'-P-C4' energy: -187.765
flat angles P-C4'-P energy: -133.308
tors. eta vs tors. theta energy: -258.632
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: 3, replica: 3
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -2714.675982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2714.675982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2714.675982 (E_RNA)
where:
Base-Base interactions energy: -1866.591
where: short stacking energy: -754.027
Base-Backbone interact. energy: -3.036
local terms energy: -845.048386
where:
bonds (distance) C4'-P energy: -178.912
bonds (distance) P-C4' energy: -174.701
flat angles C4'-P-C4' energy: -173.258
flat angles P-C4'-P energy: -111.576
tors. eta vs tors. theta energy: -206.602
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: 1
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -2575.654704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2575.654704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2575.654704 (E_RNA)
where:
Base-Base interactions energy: -1708.043
where: short stacking energy: -751.092
Base-Backbone interact. energy: -4.099
local terms energy: -863.512998
where:
bonds (distance) C4'-P energy: -191.664
bonds (distance) P-C4' energy: -173.694
flat angles C4'-P-C4' energy: -183.613
flat angles P-C4'-P energy: -100.572
tors. eta vs tors. theta energy: -213.970
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: 6
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -2380.273255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.273255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2380.273255 (E_RNA)
where:
Base-Base interactions energy: -1606.688
where: short stacking energy: -689.359
Base-Backbone interact. energy: -4.325
local terms energy: -769.260361
where:
bonds (distance) C4'-P energy: -145.774
bonds (distance) P-C4' energy: -147.983
flat angles C4'-P-C4' energy: -176.507
flat angles P-C4'-P energy: -103.733
tors. eta vs tors. theta energy: -195.263
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: 414
Temperature: 1.150000
Total energy: -2117.106718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2117.106718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2117.106718 (E_RNA)
where:
Base-Base interactions energy: -1373.587
where: short stacking energy: -619.248
Base-Backbone interact. energy: 0.363
local terms energy: -743.882259
where:
bonds (distance) C4'-P energy: -151.364
bonds (distance) P-C4' energy: -161.778
flat angles C4'-P-C4' energy: -159.350
flat angles P-C4'-P energy: -109.376
tors. eta vs tors. theta energy: -162.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -1928.921619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.921619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.921619 (E_RNA)
where:
Base-Base interactions energy: -1259.520
where: short stacking energy: -589.447
Base-Backbone interact. energy: -3.402
local terms energy: -665.999139
where:
bonds (distance) C4'-P energy: -127.934
bonds (distance) P-C4' energy: -145.819
flat angles C4'-P-C4' energy: -145.651
flat angles P-C4'-P energy: -96.198
tors. eta vs tors. theta energy: -150.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -1342.590893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.590893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.590893 (E_RNA)
where:
Base-Base interactions energy: -763.596
where: short stacking energy: -390.480
Base-Backbone interact. energy: 8.561
local terms energy: -587.556192
where:
bonds (distance) C4'-P energy: -140.301
bonds (distance) P-C4' energy: -171.201
flat angles C4'-P-C4' energy: -145.869
flat angles P-C4'-P energy: -73.533
tors. eta vs tors. theta energy: -56.652
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: 414
Temperature: 1.300000
Total energy: -947.786615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.786615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.786615 (E_RNA)
where:
Base-Base interactions energy: -438.633
where: short stacking energy: -274.524
Base-Backbone interact. energy: -1.657
local terms energy: -507.495938
where:
bonds (distance) C4'-P energy: -146.810
bonds (distance) P-C4' energy: -136.761
flat angles C4'-P-C4' energy: -141.461
flat angles P-C4'-P energy: -79.920
tors. eta vs tors. theta energy: -2.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -746.773342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.773342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.773342 (E_RNA)
where:
Base-Base interactions energy: -330.412
where: short stacking energy: -200.681
Base-Backbone interact. energy: 2.682
local terms energy: -419.043443
where:
bonds (distance) C4'-P energy: -157.209
bonds (distance) P-C4' energy: -134.982
flat angles C4'-P-C4' energy: -107.986
flat angles P-C4'-P energy: -50.835
tors. eta vs tors. theta energy: 31.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -3053.246525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3053.246525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3053.246525 (E_RNA)
where:
Base-Base interactions energy: -2088.237
where: short stacking energy: -876.535
Base-Backbone interact. energy: -4.429
local terms energy: -960.581026
where:
bonds (distance) C4'-P energy: -167.213
bonds (distance) P-C4' energy: -186.423
flat angles C4'-P-C4' energy: -201.229
flat angles P-C4'-P energy: -145.331
tors. eta vs tors. theta energy: -260.385
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: 2, replica: 10
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -2933.529942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2933.529942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2933.529942 (E_RNA)
where:
Base-Base interactions energy: -2017.421
where: short stacking energy: -838.502
Base-Backbone interact. energy: -3.369
local terms energy: -912.740683
where:
bonds (distance) C4'-P energy: -164.255
bonds (distance) P-C4' energy: -174.767
flat angles C4'-P-C4' energy: -193.756
flat angles P-C4'-P energy: -124.638
tors. eta vs tors. theta energy: -255.325
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: 3
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -2709.548096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2709.548096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2709.548096 (E_RNA)
where:
Base-Base interactions energy: -1853.732
where: short stacking energy: -767.568
Base-Backbone interact. energy: -2.307
local terms energy: -853.508853
where:
bonds (distance) C4'-P energy: -185.852
bonds (distance) P-C4' energy: -153.035
flat angles C4'-P-C4' energy: -181.136
flat angles P-C4'-P energy: -113.292
tors. eta vs tors. theta energy: -220.194
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: 1
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -2518.670692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2518.670692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2518.670692 (E_RNA)
where:
Base-Base interactions energy: -1706.615
where: short stacking energy: -737.269
Base-Backbone interact. energy: 2.078
local terms energy: -814.133783
where:
bonds (distance) C4'-P energy: -154.494
bonds (distance) P-C4' energy: -148.935
flat angles C4'-P-C4' energy: -190.041
flat angles P-C4'-P energy: -115.497
tors. eta vs tors. theta energy: -205.167
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: 6
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -2420.211831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2420.211831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2420.211831 (E_RNA)
where:
Base-Base interactions energy: -1602.048
where: short stacking energy: -686.383
Base-Backbone interact. energy: -5.482
local terms energy: -812.682372
where:
bonds (distance) C4'-P energy: -155.661
bonds (distance) P-C4' energy: -165.634
flat angles C4'-P-C4' energy: -171.532
flat angles P-C4'-P energy: -123.669
tors. eta vs tors. theta energy: -196.187
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: 9
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -2128.644913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2128.644913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2128.644913 (E_RNA)
where:
Base-Base interactions energy: -1407.062
where: short stacking energy: -635.353
Base-Backbone interact. energy: -0.056
local terms energy: -721.526960
where:
bonds (distance) C4'-P energy: -145.390
bonds (distance) P-C4' energy: -156.285
flat angles C4'-P-C4' energy: -167.640
flat angles P-C4'-P energy: -95.769
tors. eta vs tors. theta energy: -156.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -1864.215223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.215223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.215223 (E_RNA)
where:
Base-Base interactions energy: -1174.389
where: short stacking energy: -550.826
Base-Backbone interact. energy: 0.071
local terms energy: -689.897271
where:
bonds (distance) C4'-P energy: -120.272
bonds (distance) P-C4' energy: -155.794
flat angles C4'-P-C4' energy: -165.732
flat angles P-C4'-P energy: -114.920
tors. eta vs tors. theta energy: -133.178
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: 8
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -1387.994092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.994092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.994092 (E_RNA)
where:
Base-Base interactions energy: -808.806
where: short stacking energy: -378.410
Base-Backbone interact. energy: 1.134
local terms energy: -580.321546
where:
bonds (distance) C4'-P energy: -143.952
bonds (distance) P-C4' energy: -135.732
flat angles C4'-P-C4' energy: -130.792
flat angles P-C4'-P energy: -101.283
tors. eta vs tors. theta energy: -68.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -914.903897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.903897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.903897 (E_RNA)
where:
Base-Base interactions energy: -436.434
where: short stacking energy: -263.784
Base-Backbone interact. energy: -1.712
local terms energy: -476.757463
where:
bonds (distance) C4'-P energy: -133.113
bonds (distance) P-C4' energy: -165.894
flat angles C4'-P-C4' energy: -141.227
flat angles P-C4'-P energy: -38.613
tors. eta vs tors. theta energy: 2.091
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: 10, replica: 4
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -733.063999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.063999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.063999 (E_RNA)
where:
Base-Base interactions energy: -304.174
where: short stacking energy: -174.136
Base-Backbone interact. energy: 2.783
local terms energy: -431.673251
where:
bonds (distance) C4'-P energy: -154.762
bonds (distance) P-C4' energy: -146.181
flat angles C4'-P-C4' energy: -112.149
flat angles P-C4'-P energy: -61.219
tors. eta vs tors. theta energy: 42.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -3045.135357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3045.135357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3045.135357 (E_RNA)
where:
Base-Base interactions energy: -2064.419
where: short stacking energy: -871.525
Base-Backbone interact. energy: -2.631
local terms energy: -978.085389
where:
bonds (distance) C4'-P energy: -187.626
bonds (distance) P-C4' energy: -170.784
flat angles C4'-P-C4' energy: -207.463
flat angles P-C4'-P energy: -147.945
tors. eta vs tors. theta energy: -264.268
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: 10
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -2978.918051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2978.918051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2978.918051 (E_RNA)
where:
Base-Base interactions energy: -2053.211
where: short stacking energy: -867.610
Base-Backbone interact. energy: -2.464
local terms energy: -923.243481
where:
bonds (distance) C4'-P energy: -171.505
bonds (distance) P-C4' energy: -186.825
flat angles C4'-P-C4' energy: -196.805
flat angles P-C4'-P energy: -118.229
tors. eta vs tors. theta energy: -249.879
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: 3, replica: 3
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -2711.152978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2711.152978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2711.152978 (E_RNA)
where:
Base-Base interactions energy: -1865.192
where: short stacking energy: -775.956
Base-Backbone interact. energy: -3.039
local terms energy: -842.922422
where:
bonds (distance) C4'-P energy: -157.854
bonds (distance) P-C4' energy: -155.103
flat angles C4'-P-C4' energy: -179.557
flat angles P-C4'-P energy: -126.390
tors. eta vs tors. theta energy: -224.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -2633.417556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2633.417556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2633.417556 (E_RNA)
where:
Base-Base interactions energy: -1777.038
where: short stacking energy: -756.916
Base-Backbone interact. energy: -0.816
local terms energy: -855.563434
where:
bonds (distance) C4'-P energy: -142.703
bonds (distance) P-C4' energy: -191.603
flat angles C4'-P-C4' energy: -173.418
flat angles P-C4'-P energy: -115.208
tors. eta vs tors. theta energy: -232.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -2379.113796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2379.113796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2379.113796 (E_RNA)
where:
Base-Base interactions energy: -1603.889
where: short stacking energy: -672.857
Base-Backbone interact. energy: -3.156
local terms energy: -772.068640
where:
bonds (distance) C4'-P energy: -141.402
bonds (distance) P-C4' energy: -172.475
flat angles C4'-P-C4' energy: -183.023
flat angles P-C4'-P energy: -86.545
tors. eta vs tors. theta energy: -188.624
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: 416
Temperature: 1.150000
Total energy: -2210.128206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2210.128206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2210.128206 (E_RNA)
where:
Base-Base interactions energy: -1474.090
where: short stacking energy: -616.972
Base-Backbone interact. energy: -0.268
local terms energy: -735.770845
where:
bonds (distance) C4'-P energy: -153.101
bonds (distance) P-C4' energy: -150.347
flat angles C4'-P-C4' energy: -168.881
flat angles P-C4'-P energy: -103.918
tors. eta vs tors. theta energy: -159.524
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: 5
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -1929.806132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.806132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.806132 (E_RNA)
where:
Base-Base interactions energy: -1227.396
where: short stacking energy: -589.239
Base-Backbone interact. energy: 0.505
local terms energy: -702.914385
where:
bonds (distance) C4'-P energy: -156.935
bonds (distance) P-C4' energy: -129.587
flat angles C4'-P-C4' energy: -168.203
flat angles P-C4'-P energy: -101.266
tors. eta vs tors. theta energy: -146.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -1382.119201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.119201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.119201 (E_RNA)
where:
Base-Base interactions energy: -770.763
where: short stacking energy: -382.541
Base-Backbone interact. energy: 1.063
local terms energy: -612.419207
where:
bonds (distance) C4'-P energy: -151.190
bonds (distance) P-C4' energy: -148.741
flat angles C4'-P-C4' energy: -154.480
flat angles P-C4'-P energy: -102.324
tors. eta vs tors. theta energy: -55.684
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: 416
Temperature: 1.300000
Total energy: -883.739725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.739725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.739725 (E_RNA)
where:
Base-Base interactions energy: -436.818
where: short stacking energy: -263.248
Base-Backbone interact. energy: 0.267
local terms energy: -447.188970
where:
bonds (distance) C4'-P energy: -117.611
bonds (distance) P-C4' energy: -145.530
flat angles C4'-P-C4' energy: -149.782
flat angles P-C4'-P energy: -42.580
tors. eta vs tors. theta energy: 8.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -767.348672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.348672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.348672 (E_RNA)
where:
Base-Base interactions energy: -327.654
where: short stacking energy: -190.213
Base-Backbone interact. energy: 4.120
local terms energy: -443.814947
where:
bonds (distance) C4'-P energy: -120.393
bonds (distance) P-C4' energy: -127.527
flat angles C4'-P-C4' energy: -149.441
flat angles P-C4'-P energy: -82.234
tors. eta vs tors. theta energy: 35.781
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: 7
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -3002.660170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3002.660170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3002.660170 (E_RNA)
where:
Base-Base interactions energy: -2061.603
where: short stacking energy: -860.690
Base-Backbone interact. energy: -3.707
local terms energy: -937.351012
where:
bonds (distance) C4'-P energy: -167.304
bonds (distance) P-C4' energy: -179.203
flat angles C4'-P-C4' energy: -197.872
flat angles P-C4'-P energy: -131.125
tors. eta vs tors. theta energy: -261.846
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: 10
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -2961.506526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2961.506526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2961.506526 (E_RNA)
where:
Base-Base interactions energy: -2051.787
where: short stacking energy: -843.587
Base-Backbone interact. energy: -5.318
local terms energy: -904.401584
where:
bonds (distance) C4'-P energy: -158.877
bonds (distance) P-C4' energy: -176.977
flat angles C4'-P-C4' energy: -200.137
flat angles P-C4'-P energy: -115.399
tors. eta vs tors. theta energy: -253.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -2741.027403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2741.027403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2741.027403 (E_RNA)
where:
Base-Base interactions energy: -1838.266
where: short stacking energy: -719.793
Base-Backbone interact. energy: -3.344
local terms energy: -899.417686
where:
bonds (distance) C4'-P energy: -179.245
bonds (distance) P-C4' energy: -190.086
flat angles C4'-P-C4' energy: -198.491
flat angles P-C4'-P energy: -120.953
tors. eta vs tors. theta energy: -210.643
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: 4, replica: 1
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -2567.057304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2567.057304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2567.057304 (E_RNA)
where:
Base-Base interactions energy: -1741.603
where: short stacking energy: -725.073
Base-Backbone interact. energy: -3.752
local terms energy: -821.702425
where:
bonds (distance) C4'-P energy: -164.664
bonds (distance) P-C4' energy: -152.763
flat angles C4'-P-C4' energy: -178.157
flat angles P-C4'-P energy: -114.295
tors. eta vs tors. theta energy: -211.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -2396.515798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2396.515798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2396.515798 (E_RNA)
where:
Base-Base interactions energy: -1626.129
where: short stacking energy: -686.362
Base-Backbone interact. energy: -1.694
local terms energy: -768.692799
where:
bonds (distance) C4'-P energy: -140.623
bonds (distance) P-C4' energy: -162.227
flat angles C4'-P-C4' energy: -171.898
flat angles P-C4'-P energy: -109.684
tors. eta vs tors. theta energy: -184.261
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: 9
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -2175.891348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.891348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.891348 (E_RNA)
where:
Base-Base interactions energy: -1399.626
where: short stacking energy: -598.630
Base-Backbone interact. energy: -0.533
local terms energy: -775.732417
where:
bonds (distance) C4'-P energy: -172.030
bonds (distance) P-C4' energy: -159.044
flat angles C4'-P-C4' energy: -165.203
flat angles P-C4'-P energy: -110.739
tors. eta vs tors. theta energy: -168.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -1830.808583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.808583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.808583 (E_RNA)
where:
Base-Base interactions energy: -1177.508
where: short stacking energy: -519.116
Base-Backbone interact. energy: 5.094
local terms energy: -658.395102
where:
bonds (distance) C4'-P energy: -165.090
bonds (distance) P-C4' energy: -133.251
flat angles C4'-P-C4' energy: -154.590
flat angles P-C4'-P energy: -80.669
tors. eta vs tors. theta energy: -124.796
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: 8
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -1276.247919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.247919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.247919 (E_RNA)
where:
Base-Base interactions energy: -725.560
where: short stacking energy: -360.146
Base-Backbone interact. energy: 1.249
local terms energy: -551.936917
where:
bonds (distance) C4'-P energy: -141.988
bonds (distance) P-C4' energy: -155.236
flat angles C4'-P-C4' energy: -135.785
flat angles P-C4'-P energy: -87.952
tors. eta vs tors. theta energy: -30.975
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: 2
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -915.141645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.141645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.141645 (E_RNA)
where:
Base-Base interactions energy: -400.557
where: short stacking energy: -247.040
Base-Backbone interact. energy: 4.474
local terms energy: -519.058384
where:
bonds (distance) C4'-P energy: -144.817
bonds (distance) P-C4' energy: -167.827
flat angles C4'-P-C4' energy: -141.588
flat angles P-C4'-P energy: -68.380
tors. eta vs tors. theta energy: 3.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -747.327866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.327866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.327866 (E_RNA)
where:
Base-Base interactions energy: -305.393
where: short stacking energy: -201.389
Base-Backbone interact. energy: 1.628
local terms energy: -443.562390
where:
bonds (distance) C4'-P energy: -125.884
bonds (distance) P-C4' energy: -153.149
flat angles C4'-P-C4' energy: -128.227
flat angles P-C4'-P energy: -50.806
tors. eta vs tors. theta energy: 14.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -2991.599877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2991.599877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2991.599877 (E_RNA)
where:
Base-Base interactions energy: -2026.495
where: short stacking energy: -837.806
Base-Backbone interact. energy: -2.220
local terms energy: -962.885715
where:
bonds (distance) C4'-P energy: -181.441
bonds (distance) P-C4' energy: -187.914
flat angles C4'-P-C4' energy: -197.475
flat angles P-C4'-P energy: -139.950
tors. eta vs tors. theta energy: -256.107
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: 10
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -2925.466249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2925.466249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2925.466249 (E_RNA)
where:
Base-Base interactions energy: -2013.155
where: short stacking energy: -826.642
Base-Backbone interact. energy: -3.986
local terms energy: -908.325484
where:
bonds (distance) C4'-P energy: -171.429
bonds (distance) P-C4' energy: -168.183
flat angles C4'-P-C4' energy: -202.492
flat angles P-C4'-P energy: -120.629
tors. eta vs tors. theta energy: -245.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -2787.847218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2787.847218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2787.847218 (E_RNA)
where:
Base-Base interactions energy: -1925.942
where: short stacking energy: -771.534
Base-Backbone interact. energy: -3.151
local terms energy: -858.754954
where:
bonds (distance) C4'-P energy: -155.258
bonds (distance) P-C4' energy: -182.879
flat angles C4'-P-C4' energy: -178.950
flat angles P-C4'-P energy: -120.371
tors. eta vs tors. theta energy: -221.298
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: 1
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -2580.654519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2580.654519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2580.654519 (E_RNA)
where:
Base-Base interactions energy: -1754.505
where: short stacking energy: -722.824
Base-Backbone interact. energy: 2.904
local terms energy: -829.053602
where:
bonds (distance) C4'-P energy: -145.165
bonds (distance) P-C4' energy: -153.129
flat angles C4'-P-C4' energy: -197.265
flat angles P-C4'-P energy: -124.488
tors. eta vs tors. theta energy: -209.008
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: 418
Temperature: 1.100000
Total energy: -2406.026022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2406.026022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2406.026022 (E_RNA)
where:
Base-Base interactions energy: -1606.535
where: short stacking energy: -695.053
Base-Backbone interact. energy: 1.818
local terms energy: -801.309048
where:
bonds (distance) C4'-P energy: -134.964
bonds (distance) P-C4' energy: -153.488
flat angles C4'-P-C4' energy: -187.522
flat angles P-C4'-P energy: -130.451
tors. eta vs tors. theta energy: -194.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -2097.820156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.820156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.820156 (E_RNA)
where:
Base-Base interactions energy: -1378.820
where: short stacking energy: -592.829
Base-Backbone interact. energy: -0.340
local terms energy: -718.659990
where:
bonds (distance) C4'-P energy: -155.517
bonds (distance) P-C4' energy: -141.920
flat angles C4'-P-C4' energy: -157.027
flat angles P-C4'-P energy: -95.895
tors. eta vs tors. theta energy: -168.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -1824.847705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.847705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.847705 (E_RNA)
where:
Base-Base interactions energy: -1140.660
where: short stacking energy: -522.787
Base-Backbone interact. energy: 0.125
local terms energy: -684.312933
where:
bonds (distance) C4'-P energy: -154.444
bonds (distance) P-C4' energy: -170.505
flat angles C4'-P-C4' energy: -150.326
flat angles P-C4'-P energy: -94.505
tors. eta vs tors. theta energy: -114.533
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: 8
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -1317.747057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.747057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.747057 (E_RNA)
where:
Base-Base interactions energy: -754.763
where: short stacking energy: -393.883
Base-Backbone interact. energy: -3.450
local terms energy: -559.534358
where:
bonds (distance) C4'-P energy: -145.260
bonds (distance) P-C4' energy: -145.796
flat angles C4'-P-C4' energy: -113.933
flat angles P-C4'-P energy: -90.138
tors. eta vs tors. theta energy: -64.408
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: 2
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -971.373257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.373257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.373257 (E_RNA)
where:
Base-Base interactions energy: -492.192
where: short stacking energy: -291.392
Base-Backbone interact. energy: 2.900
local terms energy: -482.081887
where:
bonds (distance) C4'-P energy: -158.501
bonds (distance) P-C4' energy: -124.307
flat angles C4'-P-C4' energy: -127.294
flat angles P-C4'-P energy: -74.515
tors. eta vs tors. theta energy: 2.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -735.598820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.598820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.598820 (E_RNA)
where:
Base-Base interactions energy: -313.428
where: short stacking energy: -198.750
Base-Backbone interact. energy: 5.586
local terms energy: -427.756142
where:
bonds (distance) C4'-P energy: -140.403
bonds (distance) P-C4' energy: -137.812
flat angles C4'-P-C4' energy: -123.646
flat angles P-C4'-P energy: -53.541
tors. eta vs tors. theta energy: 27.646
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: 7
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -3035.741983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3035.741983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3035.741983 (E_RNA)
where:
Base-Base interactions energy: -2067.961
where: short stacking energy: -846.126
Base-Backbone interact. energy: -5.692
local terms energy: -962.089699
where:
bonds (distance) C4'-P energy: -175.126
bonds (distance) P-C4' energy: -195.487
flat angles C4'-P-C4' energy: -188.810
flat angles P-C4'-P energy: -139.017
tors. eta vs tors. theta energy: -263.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -2959.906564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2959.906564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2959.906564 (E_RNA)
where:
Base-Base interactions energy: -2033.161
where: short stacking energy: -838.860
Base-Backbone interact. energy: -5.897
local terms energy: -920.848737
where:
bonds (distance) C4'-P energy: -168.701
bonds (distance) P-C4' energy: -182.386
flat angles C4'-P-C4' energy: -180.446
flat angles P-C4'-P energy: -139.475
tors. eta vs tors. theta energy: -249.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -2745.439453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2745.439453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2745.439453 (E_RNA)
where:
Base-Base interactions energy: -1902.947
where: short stacking energy: -807.590
Base-Backbone interact. energy: -0.334
local terms energy: -842.158471
where:
bonds (distance) C4'-P energy: -155.049
bonds (distance) P-C4' energy: -172.298
flat angles C4'-P-C4' energy: -174.578
flat angles P-C4'-P energy: -110.729
tors. eta vs tors. theta energy: -229.505
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: 4, replica: 1
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -2559.400782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2559.400782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2559.400782 (E_RNA)
where:
Base-Base interactions energy: -1728.830
where: short stacking energy: -717.291
Base-Backbone interact. energy: 0.380
local terms energy: -830.950548
where:
bonds (distance) C4'-P energy: -151.326
bonds (distance) P-C4' energy: -173.700
flat angles C4'-P-C4' energy: -195.657
flat angles P-C4'-P energy: -107.509
tors. eta vs tors. theta energy: -202.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -2438.605043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2438.605043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2438.605043 (E_RNA)
where:
Base-Base interactions energy: -1616.140
where: short stacking energy: -673.854
Base-Backbone interact. energy: 0.967
local terms energy: -823.432083
where:
bonds (distance) C4'-P energy: -159.426
bonds (distance) P-C4' energy: -173.819
flat angles C4'-P-C4' energy: -166.573
flat angles P-C4'-P energy: -116.961
tors. eta vs tors. theta energy: -206.653
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: 9
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -2156.680270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.680270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2156.680270 (E_RNA)
where:
Base-Base interactions energy: -1425.599
where: short stacking energy: -625.748
Base-Backbone interact. energy: -2.117
local terms energy: -728.964401
where:
bonds (distance) C4'-P energy: -151.731
bonds (distance) P-C4' energy: -160.904
flat angles C4'-P-C4' energy: -159.371
flat angles P-C4'-P energy: -92.110
tors. eta vs tors. theta energy: -164.849
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: 7, replica: 5
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -1866.212629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.212629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.212629 (E_RNA)
where:
Base-Base interactions energy: -1164.769
where: short stacking energy: -543.397
Base-Backbone interact. energy: 1.116
local terms energy: -702.559503
where:
bonds (distance) C4'-P energy: -159.701
bonds (distance) P-C4' energy: -152.980
flat angles C4'-P-C4' energy: -157.868
flat angles P-C4'-P energy: -97.814
tors. eta vs tors. theta energy: -134.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -1294.713543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.713543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.713543 (E_RNA)
where:
Base-Base interactions energy: -736.762
where: short stacking energy: -365.969
Base-Backbone interact. energy: 5.520
local terms energy: -563.471697
where:
bonds (distance) C4'-P energy: -133.185
bonds (distance) P-C4' energy: -154.949
flat angles C4'-P-C4' energy: -147.316
flat angles P-C4'-P energy: -92.264
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: 9, replica: 2
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -986.977388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.977388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.977388 (E_RNA)
where:
Base-Base interactions energy: -487.212
where: short stacking energy: -287.316
Base-Backbone interact. energy: 2.987
local terms energy: -502.751782
where:
bonds (distance) C4'-P energy: -132.823
bonds (distance) P-C4' energy: -136.736
flat angles C4'-P-C4' energy: -145.514
flat angles P-C4'-P energy: -68.543
tors. eta vs tors. theta energy: -19.136
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: 10, replica: 4
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -770.175099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.175099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.175099 (E_RNA)
where:
Base-Base interactions energy: -334.530
where: short stacking energy: -191.444
Base-Backbone interact. energy: -0.204
local terms energy: -435.441372
where:
bonds (distance) C4'-P energy: -133.675
bonds (distance) P-C4' energy: -136.954
flat angles C4'-P-C4' energy: -122.404
flat angles P-C4'-P energy: -70.038
tors. eta vs tors. theta energy: 27.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -3034.517050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3034.517050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3034.517050 (E_RNA)
where:
Base-Base interactions energy: -2086.496
where: short stacking energy: -869.231
Base-Backbone interact. energy: -0.730
local terms energy: -947.290804
where:
bonds (distance) C4'-P energy: -164.483
bonds (distance) P-C4' energy: -180.140
flat angles C4'-P-C4' energy: -193.291
flat angles P-C4'-P energy: -137.315
tors. eta vs tors. theta energy: -272.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -2979.175063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2979.175063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2979.175063 (E_RNA)
where:
Base-Base interactions energy: -2068.240
where: short stacking energy: -858.574
Base-Backbone interact. energy: -2.492
local terms energy: -908.442485
where:
bonds (distance) C4'-P energy: -162.056
bonds (distance) P-C4' energy: -172.167
flat angles C4'-P-C4' energy: -194.591
flat angles P-C4'-P energy: -127.691
tors. eta vs tors. theta energy: -251.937
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: 3
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -2723.636889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2723.636889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2723.636889 (E_RNA)
where:
Base-Base interactions energy: -1887.128
where: short stacking energy: -789.948
Base-Backbone interact. energy: 0.319
local terms energy: -836.827799
where:
bonds (distance) C4'-P energy: -151.933
bonds (distance) P-C4' energy: -164.032
flat angles C4'-P-C4' energy: -180.284
flat angles P-C4'-P energy: -110.849
tors. eta vs tors. theta energy: -229.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -2514.840866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2514.840866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2514.840866 (E_RNA)
where:
Base-Base interactions energy: -1678.870
where: short stacking energy: -717.281
Base-Backbone interact. energy: 2.380
local terms energy: -838.351027
where:
bonds (distance) C4'-P energy: -181.896
bonds (distance) P-C4' energy: -176.049
flat angles C4'-P-C4' energy: -182.840
flat angles P-C4'-P energy: -100.008
tors. eta vs tors. theta energy: -197.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -2398.061692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2398.061692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2398.061692 (E_RNA)
where:
Base-Base interactions energy: -1629.778
where: short stacking energy: -705.110
Base-Backbone interact. energy: -1.669
local terms energy: -766.613976
where:
bonds (distance) C4'-P energy: -143.843
bonds (distance) P-C4' energy: -159.003
flat angles C4'-P-C4' energy: -178.507
flat angles P-C4'-P energy: -93.394
tors. eta vs tors. theta energy: -191.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -2166.656830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.656830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2166.656830 (E_RNA)
where:
Base-Base interactions energy: -1402.747
where: short stacking energy: -587.468
Base-Backbone interact. energy: -0.298
local terms energy: -763.611548
where:
bonds (distance) C4'-P energy: -161.795
bonds (distance) P-C4' energy: -164.488
flat angles C4'-P-C4' energy: -181.201
flat angles P-C4'-P energy: -101.389
tors. eta vs tors. theta energy: -154.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -1828.728090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.728090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.728090 (E_RNA)
where:
Base-Base interactions energy: -1156.628
where: short stacking energy: -523.848
Base-Backbone interact. energy: -2.728
local terms energy: -669.372795
where:
bonds (distance) C4'-P energy: -164.076
bonds (distance) P-C4' energy: -141.312
flat angles C4'-P-C4' energy: -150.049
flat angles P-C4'-P energy: -95.376
tors. eta vs tors. theta energy: -118.561
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: 8
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -1372.761841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.761841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.761841 (E_RNA)
where:
Base-Base interactions energy: -790.762
where: short stacking energy: -373.215
Base-Backbone interact. energy: -2.349
local terms energy: -579.651307
where:
bonds (distance) C4'-P energy: -124.224
bonds (distance) P-C4' energy: -139.248
flat angles C4'-P-C4' energy: -160.736
flat angles P-C4'-P energy: -91.645
tors. eta vs tors. theta energy: -63.799
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: 420
Temperature: 1.300000
Total energy: -934.347102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.347102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.347102 (E_RNA)
where:
Base-Base interactions energy: -458.279
where: short stacking energy: -244.921
Base-Backbone interact. energy: -1.480
local terms energy: -474.587955
where:
bonds (distance) C4'-P energy: -134.218
bonds (distance) P-C4' energy: -140.334
flat angles C4'-P-C4' energy: -134.327
flat angles P-C4'-P energy: -59.669
tors. eta vs tors. theta energy: -6.040
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: 4
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -780.739033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.739033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.739033 (E_RNA)
where:
Base-Base interactions energy: -321.865
where: short stacking energy: -213.181
Base-Backbone interact. energy: -1.149
local terms energy: -457.725815
where:
bonds (distance) C4'-P energy: -149.519
bonds (distance) P-C4' energy: -104.475
flat angles C4'-P-C4' energy: -139.739
flat angles P-C4'-P energy: -80.257
tors. eta vs tors. theta energy: 16.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -2996.387199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2996.387199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2996.387199 (E_RNA)
where:
Base-Base interactions energy: -2052.782
where: short stacking energy: -865.294
Base-Backbone interact. energy: -6.357
local terms energy: -937.248197
where:
bonds (distance) C4'-P energy: -180.769
bonds (distance) P-C4' energy: -182.110
flat angles C4'-P-C4' energy: -191.353
flat angles P-C4'-P energy: -118.814
tors. eta vs tors. theta energy: -264.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -2973.860463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2973.860463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2973.860463 (E_RNA)
where:
Base-Base interactions energy: -2017.116
where: short stacking energy: -868.349
Base-Backbone interact. energy: 3.171
local terms energy: -959.915944
where:
bonds (distance) C4'-P energy: -189.199
bonds (distance) P-C4' energy: -180.681
flat angles C4'-P-C4' energy: -202.592
flat angles P-C4'-P energy: -126.576
tors. eta vs tors. theta energy: -260.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -2698.604859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2698.604859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2698.604859 (E_RNA)
where:
Base-Base interactions energy: -1849.369
where: short stacking energy: -750.947
Base-Backbone interact. energy: -2.160
local terms energy: -847.075861
where:
bonds (distance) C4'-P energy: -167.912
bonds (distance) P-C4' energy: -166.615
flat angles C4'-P-C4' energy: -183.022
flat angles P-C4'-P energy: -119.811
tors. eta vs tors. theta energy: -209.716
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: 4, replica: 1
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -2548.663185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2548.663185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2548.663185 (E_RNA)
where:
Base-Base interactions energy: -1746.235
where: short stacking energy: -743.959
Base-Backbone interact. energy: -4.930
local terms energy: -797.497922
where:
bonds (distance) C4'-P energy: -160.783
bonds (distance) P-C4' energy: -166.522
flat angles C4'-P-C4' energy: -184.772
flat angles P-C4'-P energy: -95.542
tors. eta vs tors. theta energy: -189.879
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: 6
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -2362.012582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2362.012582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.012582 (E_RNA)
where:
Base-Base interactions energy: -1542.706
where: short stacking energy: -675.468
Base-Backbone interact. energy: -1.007
local terms energy: -818.299170
where:
bonds (distance) C4'-P energy: -163.936
bonds (distance) P-C4' energy: -172.995
flat angles C4'-P-C4' energy: -185.047
flat angles P-C4'-P energy: -110.001
tors. eta vs tors. theta energy: -186.321
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: 9
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -2182.082699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.082699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.082699 (E_RNA)
where:
Base-Base interactions energy: -1438.728
where: short stacking energy: -646.269
Base-Backbone interact. energy: -2.173
local terms energy: -741.181249
where:
bonds (distance) C4'-P energy: -141.850
bonds (distance) P-C4' energy: -154.142
flat angles C4'-P-C4' energy: -163.510
flat angles P-C4'-P energy: -99.224
tors. eta vs tors. theta energy: -182.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -1731.516362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.516362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.516362 (E_RNA)
where:
Base-Base interactions energy: -1068.456
where: short stacking energy: -459.024
Base-Backbone interact. energy: 0.554
local terms energy: -663.614397
where:
bonds (distance) C4'-P energy: -149.158
bonds (distance) P-C4' energy: -172.900
flat angles C4'-P-C4' energy: -144.375
flat angles P-C4'-P energy: -92.886
tors. eta vs tors. theta energy: -104.297
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: 8, replica: 8
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -1376.100320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.100320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.100320 (E_RNA)
where:
Base-Base interactions energy: -784.268
where: short stacking energy: -373.777
Base-Backbone interact. energy: 2.616
local terms energy: -594.448918
where:
bonds (distance) C4'-P energy: -150.164
bonds (distance) P-C4' energy: -147.630
flat angles C4'-P-C4' energy: -131.219
flat angles P-C4'-P energy: -109.710
tors. eta vs tors. theta energy: -55.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -948.890107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.890107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.890107 (E_RNA)
where:
Base-Base interactions energy: -457.926
where: short stacking energy: -261.451
Base-Backbone interact. energy: -2.275
local terms energy: -488.688710
where:
bonds (distance) C4'-P energy: -140.938
bonds (distance) P-C4' energy: -131.545
flat angles C4'-P-C4' energy: -126.230
flat angles P-C4'-P energy: -91.926
tors. eta vs tors. theta energy: 1.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -804.407337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.407337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.407337 (E_RNA)
where:
Base-Base interactions energy: -361.538
where: short stacking energy: -228.730
Base-Backbone interact. energy: 5.915
local terms energy: -448.783969
where:
bonds (distance) C4'-P energy: -145.519
bonds (distance) P-C4' energy: -145.652
flat angles C4'-P-C4' energy: -114.674
flat angles P-C4'-P energy: -58.510
tors. eta vs tors. theta energy: 15.571
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: 1, replica: 7
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -3020.166523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3020.166523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3020.166523 (E_RNA)
where:
Base-Base interactions energy: -2066.131
where: short stacking energy: -840.822
Base-Backbone interact. energy: -0.179
local terms energy: -953.856669
where:
bonds (distance) C4'-P energy: -179.847
bonds (distance) P-C4' energy: -183.000
flat angles C4'-P-C4' energy: -197.417
flat angles P-C4'-P energy: -125.755
tors. eta vs tors. theta energy: -267.839
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: 422
Temperature: 0.950000
Total energy: -2936.695855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2936.695855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2936.695855 (E_RNA)
where:
Base-Base interactions energy: -1993.433
where: short stacking energy: -871.825
Base-Backbone interact. energy: -3.722
local terms energy: -939.540428
where:
bonds (distance) C4'-P energy: -156.854
bonds (distance) P-C4' energy: -174.689
flat angles C4'-P-C4' energy: -216.491
flat angles P-C4'-P energy: -137.594
tors. eta vs tors. theta energy: -253.914
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: 3
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -2713.179312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2713.179312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2713.179312 (E_RNA)
where:
Base-Base interactions energy: -1856.007
where: short stacking energy: -763.658
Base-Backbone interact. energy: -5.672
local terms energy: -851.501151
where:
bonds (distance) C4'-P energy: -171.496
bonds (distance) P-C4' energy: -168.248
flat angles C4'-P-C4' energy: -185.839
flat angles P-C4'-P energy: -106.068
tors. eta vs tors. theta energy: -219.850
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: 1
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -2586.327504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2586.327504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2586.327504 (E_RNA)
where:
Base-Base interactions energy: -1741.724
where: short stacking energy: -723.448
Base-Backbone interact. energy: -1.022
local terms energy: -843.581353
where:
bonds (distance) C4'-P energy: -162.219
bonds (distance) P-C4' energy: -168.097
flat angles C4'-P-C4' energy: -185.447
flat angles P-C4'-P energy: -108.176
tors. eta vs tors. theta energy: -219.643
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: 6
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -2316.989759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.989759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2316.989759 (E_RNA)
where:
Base-Base interactions energy: -1520.568
where: short stacking energy: -643.919
Base-Backbone interact. energy: 0.561
local terms energy: -796.982879
where:
bonds (distance) C4'-P energy: -163.157
bonds (distance) P-C4' energy: -175.021
flat angles C4'-P-C4' energy: -162.455
flat angles P-C4'-P energy: -122.779
tors. eta vs tors. theta energy: -173.571
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: 6, replica: 9
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -2128.199156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2128.199156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2128.199156 (E_RNA)
where:
Base-Base interactions energy: -1354.005
where: short stacking energy: -597.817
Base-Backbone interact. energy: -2.021
local terms energy: -772.173828
where:
bonds (distance) C4'-P energy: -165.495
bonds (distance) P-C4' energy: -162.169
flat angles C4'-P-C4' energy: -166.387
flat angles P-C4'-P energy: -115.499
tors. eta vs tors. theta energy: -162.624
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: 422
Temperature: 1.200000
Total energy: -1787.559223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.559223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.559223 (E_RNA)
where:
Base-Base interactions energy: -1074.044
where: short stacking energy: -509.591
Base-Backbone interact. energy: -2.689
local terms energy: -710.826411
where:
bonds (distance) C4'-P energy: -165.342
bonds (distance) P-C4' energy: -165.958
flat angles C4'-P-C4' energy: -152.725
flat angles P-C4'-P energy: -88.192
tors. eta vs tors. theta energy: -138.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -1383.786635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.786635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.786635 (E_RNA)
where:
Base-Base interactions energy: -809.429
where: short stacking energy: -399.893
Base-Backbone interact. energy: -0.586
local terms energy: -573.771430
where:
bonds (distance) C4'-P energy: -149.823
bonds (distance) P-C4' energy: -138.011
flat angles C4'-P-C4' energy: -149.591
flat angles P-C4'-P energy: -66.703
tors. eta vs tors. theta energy: -69.643
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: 2
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -960.228808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.228808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.228808 (E_RNA)
where:
Base-Base interactions energy: -436.543
where: short stacking energy: -243.321
Base-Backbone interact. energy: -2.464
local terms energy: -521.221169
where:
bonds (distance) C4'-P energy: -144.322
bonds (distance) P-C4' energy: -166.464
flat angles C4'-P-C4' energy: -147.180
flat angles P-C4'-P energy: -80.011
tors. eta vs tors. theta energy: 16.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -809.610414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.610414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.610414 (E_RNA)
where:
Base-Base interactions energy: -353.721
where: short stacking energy: -217.578
Base-Backbone interact. energy: -1.863
local terms energy: -454.026564
where:
bonds (distance) C4'-P energy: -125.986
bonds (distance) P-C4' energy: -146.670
flat angles C4'-P-C4' energy: -120.923
flat angles P-C4'-P energy: -71.709
tors. eta vs tors. theta energy: 11.261
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: 1, replica: 7
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -3019.551203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3019.551203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3019.551203 (E_RNA)
where:
Base-Base interactions energy: -2061.804
where: short stacking energy: -835.817
Base-Backbone interact. energy: -1.853
local terms energy: -955.894401
where:
bonds (distance) C4'-P energy: -173.011
bonds (distance) P-C4' energy: -189.929
flat angles C4'-P-C4' energy: -201.616
flat angles P-C4'-P energy: -132.140
tors. eta vs tors. theta energy: -259.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -2919.238816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2919.238816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2919.238816 (E_RNA)
where:
Base-Base interactions energy: -1989.042
where: short stacking energy: -841.002
Base-Backbone interact. energy: -5.655
local terms energy: -924.542676
where:
bonds (distance) C4'-P energy: -168.914
bonds (distance) P-C4' energy: -162.014
flat angles C4'-P-C4' energy: -213.845
flat angles P-C4'-P energy: -131.714
tors. eta vs tors. theta energy: -248.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -2711.317687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2711.317687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2711.317687 (E_RNA)
where:
Base-Base interactions energy: -1864.617
where: short stacking energy: -720.701
Base-Backbone interact. energy: -4.990
local terms energy: -841.710649
where:
bonds (distance) C4'-P energy: -156.645
bonds (distance) P-C4' energy: -163.126
flat angles C4'-P-C4' energy: -191.638
flat angles P-C4'-P energy: -120.579
tors. eta vs tors. theta energy: -209.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -2575.992685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2575.992685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2575.992685 (E_RNA)
where:
Base-Base interactions energy: -1715.038
where: short stacking energy: -759.424
Base-Backbone interact. energy: -1.866
local terms energy: -859.089107
where:
bonds (distance) C4'-P energy: -144.081
bonds (distance) P-C4' energy: -166.338
flat angles C4'-P-C4' energy: -200.282
flat angles P-C4'-P energy: -126.456
tors. eta vs tors. theta energy: -221.933
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: 6
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -2381.857018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2381.857018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2381.857018 (E_RNA)
where:
Base-Base interactions energy: -1611.913
where: short stacking energy: -703.331
Base-Backbone interact. energy: -2.406
local terms energy: -767.537829
where:
bonds (distance) C4'-P energy: -143.772
bonds (distance) P-C4' energy: -160.527
flat angles C4'-P-C4' energy: -178.971
flat angles P-C4'-P energy: -96.674
tors. eta vs tors. theta energy: -187.594
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: 6, replica: 9
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -2172.060976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2172.060976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2172.060976 (E_RNA)
where:
Base-Base interactions energy: -1451.560
where: short stacking energy: -655.720
Base-Backbone interact. energy: 3.050
local terms energy: -723.550671
where:
bonds (distance) C4'-P energy: -155.634
bonds (distance) P-C4' energy: -153.934
flat angles C4'-P-C4' energy: -158.334
flat angles P-C4'-P energy: -93.450
tors. eta vs tors. theta energy: -162.199
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: 5
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -1842.408684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.408684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.408684 (E_RNA)
where:
Base-Base interactions energy: -1194.515
where: short stacking energy: -530.582
Base-Backbone interact. energy: -0.377
local terms energy: -647.517004
where:
bonds (distance) C4'-P energy: -128.782
bonds (distance) P-C4' energy: -138.800
flat angles C4'-P-C4' energy: -161.078
flat angles P-C4'-P energy: -89.721
tors. eta vs tors. theta energy: -129.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -1342.063067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.063067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.063067 (E_RNA)
where:
Base-Base interactions energy: -790.580
where: short stacking energy: -403.082
Base-Backbone interact. energy: -4.131
local terms energy: -547.352362
where:
bonds (distance) C4'-P energy: -132.506
bonds (distance) P-C4' energy: -157.266
flat angles C4'-P-C4' energy: -120.369
flat angles P-C4'-P energy: -70.361
tors. eta vs tors. theta energy: -66.851
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: 9, replica: 2
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -998.318703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.318703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.318703 (E_RNA)
where:
Base-Base interactions energy: -511.395
where: short stacking energy: -279.792
Base-Backbone interact. energy: -4.882
local terms energy: -482.041843
where:
bonds (distance) C4'-P energy: -137.343
bonds (distance) P-C4' energy: -164.687
flat angles C4'-P-C4' energy: -124.303
flat angles P-C4'-P energy: -57.308
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: 10, replica: 4
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -810.137593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.137593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.137593 (E_RNA)
where:
Base-Base interactions energy: -369.886
where: short stacking energy: -222.470
Base-Backbone interact. energy: 8.101
local terms energy: -448.352935
where:
bonds (distance) C4'-P energy: -138.140
bonds (distance) P-C4' energy: -148.251
flat angles C4'-P-C4' energy: -111.361
flat angles P-C4'-P energy: -80.690
tors. eta vs tors. theta energy: 30.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -3006.541121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3006.541121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3006.541121 (E_RNA)
where:
Base-Base interactions energy: -2019.861
where: short stacking energy: -852.104
Base-Backbone interact. energy: -2.561
local terms energy: -984.119056
where:
bonds (distance) C4'-P energy: -188.423
bonds (distance) P-C4' energy: -192.526
flat angles C4'-P-C4' energy: -203.198
flat angles P-C4'-P energy: -133.717
tors. eta vs tors. theta energy: -266.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -2971.377606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2971.377606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2971.377606 (E_RNA)
where:
Base-Base interactions energy: -2053.801
where: short stacking energy: -875.564
Base-Backbone interact. energy: -3.651
local terms energy: -913.925741
where:
bonds (distance) C4'-P energy: -146.173
bonds (distance) P-C4' energy: -179.589
flat angles C4'-P-C4' energy: -193.320
flat angles P-C4'-P energy: -132.205
tors. eta vs tors. theta energy: -262.638
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: 3
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -2739.808110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2739.808110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2739.808110 (E_RNA)
where:
Base-Base interactions energy: -1898.979
where: short stacking energy: -759.630
Base-Backbone interact. energy: -0.613
local terms energy: -840.215879
where:
bonds (distance) C4'-P energy: -165.359
bonds (distance) P-C4' energy: -162.258
flat angles C4'-P-C4' energy: -193.426
flat angles P-C4'-P energy: -95.933
tors. eta vs tors. theta energy: -223.239
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: 1
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -2566.502146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.502146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2566.502146 (E_RNA)
where:
Base-Base interactions energy: -1702.852
where: short stacking energy: -725.385
Base-Backbone interact. energy: -4.175
local terms energy: -859.475516
where:
bonds (distance) C4'-P energy: -171.282
bonds (distance) P-C4' energy: -175.095
flat angles C4'-P-C4' energy: -185.745
flat angles P-C4'-P energy: -116.960
tors. eta vs tors. theta energy: -210.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -2460.218487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2460.218487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2460.218487 (E_RNA)
where:
Base-Base interactions energy: -1641.648
where: short stacking energy: -707.596
Base-Backbone interact. energy: -0.418
local terms energy: -818.152337
where:
bonds (distance) C4'-P energy: -158.535
bonds (distance) P-C4' energy: -168.227
flat angles C4'-P-C4' energy: -170.216
flat angles P-C4'-P energy: -123.328
tors. eta vs tors. theta energy: -197.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -2122.173750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.173750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.173750 (E_RNA)
where:
Base-Base interactions energy: -1381.287
where: short stacking energy: -630.491
Base-Backbone interact. energy: -0.349
local terms energy: -740.537252
where:
bonds (distance) C4'-P energy: -164.843
bonds (distance) P-C4' energy: -151.696
flat angles C4'-P-C4' energy: -163.376
flat angles P-C4'-P energy: -107.804
tors. eta vs tors. theta energy: -152.818
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: 5
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -1795.843397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.843397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.843397 (E_RNA)
where:
Base-Base interactions energy: -1116.682
where: short stacking energy: -507.601
Base-Backbone interact. energy: -5.676
local terms energy: -673.484814
where:
bonds (distance) C4'-P energy: -143.978
bonds (distance) P-C4' energy: -156.979
flat angles C4'-P-C4' energy: -164.849
flat angles P-C4'-P energy: -89.000
tors. eta vs tors. theta energy: -118.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -1363.562022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.562022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.562022 (E_RNA)
where:
Base-Base interactions energy: -770.191
where: short stacking energy: -346.721
Base-Backbone interact. energy: 0.394
local terms energy: -593.765143
where:
bonds (distance) C4'-P energy: -146.458
bonds (distance) P-C4' energy: -147.236
flat angles C4'-P-C4' energy: -156.647
flat angles P-C4'-P energy: -61.722
tors. eta vs tors. theta energy: -81.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -955.408905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.408905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.408905 (E_RNA)
where:
Base-Base interactions energy: -425.369
where: short stacking energy: -230.764
Base-Backbone interact. energy: 0.136
local terms energy: -530.175215
where:
bonds (distance) C4'-P energy: -144.091
bonds (distance) P-C4' energy: -171.101
flat angles C4'-P-C4' energy: -140.104
flat angles P-C4'-P energy: -77.319
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: 10, replica: 4
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -815.766906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.766906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.766906 (E_RNA)
where:
Base-Base interactions energy: -343.025
where: short stacking energy: -202.078
Base-Backbone interact. energy: -1.573
local terms energy: -471.169155
where:
bonds (distance) C4'-P energy: -140.670
bonds (distance) P-C4' energy: -157.084
flat angles C4'-P-C4' energy: -139.463
flat angles P-C4'-P energy: -54.062
tors. eta vs tors. theta energy: 20.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -3010.732713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3010.732713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3010.732713 (E_RNA)
where:
Base-Base interactions energy: -2066.034
where: short stacking energy: -880.415
Base-Backbone interact. energy: -3.291
local terms energy: -941.407482
where:
bonds (distance) C4'-P energy: -156.318
bonds (distance) P-C4' energy: -191.465
flat angles C4'-P-C4' energy: -199.295
flat angles P-C4'-P energy: -125.658
tors. eta vs tors. theta energy: -268.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -2922.694495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2922.694495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2922.694495 (E_RNA)
where:
Base-Base interactions energy: -1979.543
where: short stacking energy: -813.877
Base-Backbone interact. energy: -3.676
local terms energy: -939.475047
where:
bonds (distance) C4'-P energy: -166.905
bonds (distance) P-C4' energy: -186.339
flat angles C4'-P-C4' energy: -192.198
flat angles P-C4'-P energy: -135.685
tors. eta vs tors. theta energy: -258.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -2735.373074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2735.373074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2735.373074 (E_RNA)
where:
Base-Base interactions energy: -1856.553
where: short stacking energy: -745.361
Base-Backbone interact. energy: -3.687
local terms energy: -875.133958
where:
bonds (distance) C4'-P energy: -175.048
bonds (distance) P-C4' energy: -171.420
flat angles C4'-P-C4' energy: -184.915
flat angles P-C4'-P energy: -126.344
tors. eta vs tors. theta energy: -217.408
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: 4, replica: 1
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -2517.104918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2517.104918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2517.104918 (E_RNA)
where:
Base-Base interactions energy: -1695.149
where: short stacking energy: -725.441
Base-Backbone interact. energy: -3.389
local terms energy: -818.567000
where:
bonds (distance) C4'-P energy: -160.294
bonds (distance) P-C4' energy: -157.592
flat angles C4'-P-C4' energy: -179.666
flat angles P-C4'-P energy: -108.653
tors. eta vs tors. theta energy: -212.362
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: 425
Temperature: 1.100000
Total energy: -2459.961962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2459.961962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2459.961962 (E_RNA)
where:
Base-Base interactions energy: -1637.517
where: short stacking energy: -693.719
Base-Backbone interact. energy: -4.730
local terms energy: -817.714983
where:
bonds (distance) C4'-P energy: -165.567
bonds (distance) P-C4' energy: -154.384
flat angles C4'-P-C4' energy: -180.675
flat angles P-C4'-P energy: -125.796
tors. eta vs tors. theta energy: -191.293
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: 9
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -2173.193947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.193947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2173.193947 (E_RNA)
where:
Base-Base interactions energy: -1430.941
where: short stacking energy: -626.211
Base-Backbone interact. energy: -2.579
local terms energy: -739.673537
where:
bonds (distance) C4'-P energy: -149.302
bonds (distance) P-C4' energy: -155.138
flat angles C4'-P-C4' energy: -163.267
flat angles P-C4'-P energy: -94.808
tors. eta vs tors. theta energy: -177.159
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: 425
Temperature: 1.200000
Total energy: -1814.336920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.336920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.336920 (E_RNA)
where:
Base-Base interactions energy: -1117.007
where: short stacking energy: -522.245
Base-Backbone interact. energy: -2.682
local terms energy: -694.647865
where:
bonds (distance) C4'-P energy: -152.441
bonds (distance) P-C4' energy: -167.613
flat angles C4'-P-C4' energy: -151.571
flat angles P-C4'-P energy: -99.450
tors. eta vs tors. theta energy: -123.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -1373.758496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.758496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.758496 (E_RNA)
where:
Base-Base interactions energy: -802.162
where: short stacking energy: -398.585
Base-Backbone interact. energy: 0.186
local terms energy: -571.781927
where:
bonds (distance) C4'-P energy: -137.015
bonds (distance) P-C4' energy: -144.699
flat angles C4'-P-C4' energy: -144.679
flat angles P-C4'-P energy: -83.537
tors. eta vs tors. theta energy: -61.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -960.255363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.255363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.255363 (E_RNA)
where:
Base-Base interactions energy: -440.731
where: short stacking energy: -262.003
Base-Backbone interact. energy: 2.045
local terms energy: -521.569450
where:
bonds (distance) C4'-P energy: -152.218
bonds (distance) P-C4' energy: -155.615
flat angles C4'-P-C4' energy: -112.600
flat angles P-C4'-P energy: -87.480
tors. eta vs tors. theta energy: -13.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -786.195968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.195968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.195968 (E_RNA)
where:
Base-Base interactions energy: -378.351
where: short stacking energy: -215.659
Base-Backbone interact. energy: 0.714
local terms energy: -408.559311
where:
bonds (distance) C4'-P energy: -111.901
bonds (distance) P-C4' energy: -146.450
flat angles C4'-P-C4' energy: -119.076
flat angles P-C4'-P energy: -52.259
tors. eta vs tors. theta energy: 21.127
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: 7
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -3033.359018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3033.359018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3033.359018 (E_RNA)
where:
Base-Base interactions energy: -2073.112
where: short stacking energy: -878.398
Base-Backbone interact. energy: -1.636
local terms energy: -958.611131
where:
bonds (distance) C4'-P energy: -184.819
bonds (distance) P-C4' energy: -182.086
flat angles C4'-P-C4' energy: -195.730
flat angles P-C4'-P energy: -130.595
tors. eta vs tors. theta energy: -265.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -2968.385845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2968.385845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2968.385845 (E_RNA)
where:
Base-Base interactions energy: -2026.986
where: short stacking energy: -853.934
Base-Backbone interact. energy: 0.316
local terms energy: -941.716538
where:
bonds (distance) C4'-P energy: -170.926
bonds (distance) P-C4' energy: -171.023
flat angles C4'-P-C4' energy: -194.564
flat angles P-C4'-P energy: -131.415
tors. eta vs tors. theta energy: -273.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -2732.756082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2732.756082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2732.756082 (E_RNA)
where:
Base-Base interactions energy: -1873.408
where: short stacking energy: -767.536
Base-Backbone interact. energy: -0.550
local terms energy: -858.798239
where:
bonds (distance) C4'-P energy: -169.329
bonds (distance) P-C4' energy: -166.464
flat angles C4'-P-C4' energy: -193.276
flat angles P-C4'-P energy: -111.739
tors. eta vs tors. theta energy: -217.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -2533.409913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2533.409913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2533.409913 (E_RNA)
where:
Base-Base interactions energy: -1719.414
where: short stacking energy: -714.166
Base-Backbone interact. energy: -0.375
local terms energy: -813.621262
where:
bonds (distance) C4'-P energy: -147.353
bonds (distance) P-C4' energy: -187.176
flat angles C4'-P-C4' energy: -164.262
flat angles P-C4'-P energy: -118.661
tors. eta vs tors. theta energy: -196.170
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: 6
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -2429.123881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2429.123881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2429.123881 (E_RNA)
where:
Base-Base interactions energy: -1609.384
where: short stacking energy: -658.216
Base-Backbone interact. energy: -8.316
local terms energy: -811.423911
where:
bonds (distance) C4'-P energy: -179.113
bonds (distance) P-C4' energy: -166.190
flat angles C4'-P-C4' energy: -174.140
flat angles P-C4'-P energy: -111.118
tors. eta vs tors. theta energy: -180.863
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: 9
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -2193.200150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.200150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.200150 (E_RNA)
where:
Base-Base interactions energy: -1474.583
where: short stacking energy: -655.640
Base-Backbone interact. energy: -0.470
local terms energy: -718.146887
where:
bonds (distance) C4'-P energy: -133.348
bonds (distance) P-C4' energy: -144.667
flat angles C4'-P-C4' energy: -180.846
flat angles P-C4'-P energy: -91.842
tors. eta vs tors. theta energy: -167.444
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: 5
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -1895.161316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.161316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.161316 (E_RNA)
where:
Base-Base interactions energy: -1208.957
where: short stacking energy: -518.232
Base-Backbone interact. energy: 3.194
local terms energy: -689.398735
where:
bonds (distance) C4'-P energy: -138.037
bonds (distance) P-C4' energy: -154.123
flat angles C4'-P-C4' energy: -154.527
flat angles P-C4'-P energy: -104.258
tors. eta vs tors. theta energy: -138.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -1445.025488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.025488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.025488 (E_RNA)
where:
Base-Base interactions energy: -876.605
where: short stacking energy: -400.804
Base-Backbone interact. energy: -5.911
local terms energy: -562.510088
where:
bonds (distance) C4'-P energy: -132.118
bonds (distance) P-C4' energy: -143.792
flat angles C4'-P-C4' energy: -134.569
flat angles P-C4'-P energy: -83.603
tors. eta vs tors. theta energy: -68.428
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: 4
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -873.057600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.057600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.057600 (E_RNA)
where:
Base-Base interactions energy: -380.067
where: short stacking energy: -231.514
Base-Backbone interact. energy: 1.646
local terms energy: -494.636678
where:
bonds (distance) C4'-P energy: -143.814
bonds (distance) P-C4' energy: -150.340
flat angles C4'-P-C4' energy: -131.079
flat angles P-C4'-P energy: -86.311
tors. eta vs tors. theta energy: 16.907
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: 10, replica: 2
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -899.956346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.956346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.956346 (E_RNA)
where:
Base-Base interactions energy: -448.979
where: short stacking energy: -259.675
Base-Backbone interact. energy: 5.301
local terms energy: -456.279040
where:
bonds (distance) C4'-P energy: -111.850
bonds (distance) P-C4' energy: -161.740
flat angles C4'-P-C4' energy: -117.080
flat angles P-C4'-P energy: -72.139
tors. eta vs tors. theta energy: 6.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -3006.663195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3006.663195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3006.663195 (E_RNA)
where:
Base-Base interactions energy: -2058.553
where: short stacking energy: -882.106
Base-Backbone interact. energy: -2.586
local terms energy: -945.524355
where:
bonds (distance) C4'-P energy: -172.123
bonds (distance) P-C4' energy: -170.805
flat angles C4'-P-C4' energy: -194.811
flat angles P-C4'-P energy: -137.676
tors. eta vs tors. theta energy: -270.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -2969.585273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2969.585273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2969.585273 (E_RNA)
where:
Base-Base interactions energy: -2012.036
where: short stacking energy: -817.757
Base-Backbone interact. energy: -8.432
local terms energy: -949.117238
where:
bonds (distance) C4'-P energy: -179.018
bonds (distance) P-C4' energy: -166.089
flat angles C4'-P-C4' energy: -210.841
flat angles P-C4'-P energy: -132.402
tors. eta vs tors. theta energy: -260.767
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: 3
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -2776.376587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2776.376587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2776.376587 (E_RNA)
where:
Base-Base interactions energy: -1925.597
where: short stacking energy: -778.364
Base-Backbone interact. energy: -3.714
local terms energy: -847.066153
where:
bonds (distance) C4'-P energy: -166.209
bonds (distance) P-C4' energy: -153.278
flat angles C4'-P-C4' energy: -187.089
flat angles P-C4'-P energy: -114.376
tors. eta vs tors. theta energy: -226.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -2551.817991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2551.817991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2551.817991 (E_RNA)
where:
Base-Base interactions energy: -1725.817
where: short stacking energy: -725.850
Base-Backbone interact. energy: 0.032
local terms energy: -826.032676
where:
bonds (distance) C4'-P energy: -156.248
bonds (distance) P-C4' energy: -148.436
flat angles C4'-P-C4' energy: -187.278
flat angles P-C4'-P energy: -113.070
tors. eta vs tors. theta energy: -221.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -2379.994405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2379.994405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2379.994405 (E_RNA)
where:
Base-Base interactions energy: -1591.695
where: short stacking energy: -679.551
Base-Backbone interact. energy: 1.100
local terms energy: -789.398897
where:
bonds (distance) C4'-P energy: -145.597
bonds (distance) P-C4' energy: -166.304
flat angles C4'-P-C4' energy: -178.440
flat angles P-C4'-P energy: -105.970
tors. eta vs tors. theta energy: -193.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -2153.464543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2153.464543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2153.464543 (E_RNA)
where:
Base-Base interactions energy: -1445.559
where: short stacking energy: -675.603
Base-Backbone interact. energy: -0.113
local terms energy: -707.792864
where:
bonds (distance) C4'-P energy: -140.919
bonds (distance) P-C4' energy: -149.719
flat angles C4'-P-C4' energy: -144.756
flat angles P-C4'-P energy: -112.820
tors. eta vs tors. theta energy: -159.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -1939.621912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.621912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.621912 (E_RNA)
where:
Base-Base interactions energy: -1209.355
where: short stacking energy: -562.883
Base-Backbone interact. energy: -2.356
local terms energy: -727.910619
where:
bonds (distance) C4'-P energy: -151.084
bonds (distance) P-C4' energy: -172.874
flat angles C4'-P-C4' energy: -145.824
flat angles P-C4'-P energy: -104.496
tors. eta vs tors. theta energy: -153.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -1448.835254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.835254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.835254 (E_RNA)
where:
Base-Base interactions energy: -857.681
where: short stacking energy: -432.263
Base-Backbone interact. energy: 11.244
local terms energy: -602.398275
where:
bonds (distance) C4'-P energy: -143.325
bonds (distance) P-C4' energy: -151.311
flat angles C4'-P-C4' energy: -159.213
flat angles P-C4'-P energy: -83.110
tors. eta vs tors. theta energy: -65.438
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: 4
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -857.290247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.290247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.290247 (E_RNA)
where:
Base-Base interactions energy: -369.240
where: short stacking energy: -213.989
Base-Backbone interact. energy: 0.225
local terms energy: -488.275629
where:
bonds (distance) C4'-P energy: -153.665
bonds (distance) P-C4' energy: -157.421
flat angles C4'-P-C4' energy: -121.326
flat angles P-C4'-P energy: -68.292
tors. eta vs tors. theta energy: 12.429
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: 2
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -826.899584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.899584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.899584 (E_RNA)
where:
Base-Base interactions energy: -339.371
where: short stacking energy: -250.447
Base-Backbone interact. energy: 0.906
local terms energy: -488.434331
where:
bonds (distance) C4'-P energy: -124.735
bonds (distance) P-C4' energy: -152.122
flat angles C4'-P-C4' energy: -125.659
flat angles P-C4'-P energy: -77.347
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: 1, replica: 7
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -3027.740882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3027.740882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3027.740882 (E_RNA)
where:
Base-Base interactions energy: -2098.590
where: short stacking energy: -857.239
Base-Backbone interact. energy: 0.519
local terms energy: -929.669717
where:
bonds (distance) C4'-P energy: -181.681
bonds (distance) P-C4' energy: -170.512
flat angles C4'-P-C4' energy: -197.039
flat angles P-C4'-P energy: -122.216
tors. eta vs tors. theta energy: -258.222
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: 10
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -2991.215433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2991.215433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2991.215433 (E_RNA)
where:
Base-Base interactions energy: -2066.695
where: short stacking energy: -836.127
Base-Backbone interact. energy: -7.857
local terms energy: -916.664145
where:
bonds (distance) C4'-P energy: -169.988
bonds (distance) P-C4' energy: -162.866
flat angles C4'-P-C4' energy: -185.397
flat angles P-C4'-P energy: -135.559
tors. eta vs tors. theta energy: -262.854
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: 3
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -2732.545333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2732.545333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2732.545333 (E_RNA)
where:
Base-Base interactions energy: -1895.065
where: short stacking energy: -753.943
Base-Backbone interact. energy: -0.356
local terms energy: -837.123442
where:
bonds (distance) C4'-P energy: -151.287
bonds (distance) P-C4' energy: -162.021
flat angles C4'-P-C4' energy: -198.823
flat angles P-C4'-P energy: -107.241
tors. eta vs tors. theta energy: -217.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -2564.875059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2564.875059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2564.875059 (E_RNA)
where:
Base-Base interactions energy: -1757.457
where: short stacking energy: -705.787
Base-Backbone interact. energy: 1.442
local terms energy: -808.859879
where:
bonds (distance) C4'-P energy: -150.367
bonds (distance) P-C4' energy: -145.744
flat angles C4'-P-C4' energy: -194.784
flat angles P-C4'-P energy: -115.207
tors. eta vs tors. theta energy: -202.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -2383.067856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2383.067856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2383.067856 (E_RNA)
where:
Base-Base interactions energy: -1591.409
where: short stacking energy: -695.503
Base-Backbone interact. energy: 2.736
local terms energy: -794.394737
where:
bonds (distance) C4'-P energy: -141.144
bonds (distance) P-C4' energy: -171.439
flat angles C4'-P-C4' energy: -168.641
flat angles P-C4'-P energy: -108.396
tors. eta vs tors. theta energy: -204.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -2233.873916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2233.873916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2233.873916 (E_RNA)
where:
Base-Base interactions energy: -1475.760
where: short stacking energy: -634.794
Base-Backbone interact. energy: 0.859
local terms energy: -758.972881
where:
bonds (distance) C4'-P energy: -154.540
bonds (distance) P-C4' energy: -162.665
flat angles C4'-P-C4' energy: -150.227
flat angles P-C4'-P energy: -118.300
tors. eta vs tors. theta energy: -173.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -1943.566604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.566604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.566604 (E_RNA)
where:
Base-Base interactions energy: -1234.293
where: short stacking energy: -570.333
Base-Backbone interact. energy: -0.335
local terms energy: -708.938029
where:
bonds (distance) C4'-P energy: -140.131
bonds (distance) P-C4' energy: -159.539
flat angles C4'-P-C4' energy: -154.941
flat angles P-C4'-P energy: -110.919
tors. eta vs tors. theta energy: -143.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -1412.104533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.104533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.104533 (E_RNA)
where:
Base-Base interactions energy: -844.129
where: short stacking energy: -439.824
Base-Backbone interact. energy: -1.629
local terms energy: -566.346226
where:
bonds (distance) C4'-P energy: -131.066
bonds (distance) P-C4' energy: -144.981
flat angles C4'-P-C4' energy: -136.347
flat angles P-C4'-P energy: -83.627
tors. eta vs tors. theta energy: -70.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -860.323372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.323372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.323372 (E_RNA)
where:
Base-Base interactions energy: -391.861
where: short stacking energy: -223.130
Base-Backbone interact. energy: -1.767
local terms energy: -466.695573
where:
bonds (distance) C4'-P energy: -147.347
bonds (distance) P-C4' energy: -148.124
flat angles C4'-P-C4' energy: -134.396
flat angles P-C4'-P energy: -59.478
tors. eta vs tors. theta energy: 22.649
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: 10, replica: 4
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -776.005192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.005192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.005192 (E_RNA)
where:
Base-Base interactions energy: -344.677
where: short stacking energy: -201.774
Base-Backbone interact. energy: 6.483
local terms energy: -437.810954
where:
bonds (distance) C4'-P energy: -150.349
bonds (distance) P-C4' energy: -129.624
flat angles C4'-P-C4' energy: -131.135
flat angles P-C4'-P energy: -58.373
tors. eta vs tors. theta energy: 31.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -2987.935568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2987.935568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2987.935568 (E_RNA)
where:
Base-Base interactions energy: -2072.889
where: short stacking energy: -870.086
Base-Backbone interact. energy: -6.016
local terms energy: -909.030507
where:
bonds (distance) C4'-P energy: -160.182
bonds (distance) P-C4' energy: -172.795
flat angles C4'-P-C4' energy: -199.087
flat angles P-C4'-P energy: -123.950
tors. eta vs tors. theta energy: -253.017
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: 429
Temperature: 0.950000
Total energy: -2959.483338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2959.483338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2959.483338 (E_RNA)
where:
Base-Base interactions energy: -2012.569
where: short stacking energy: -843.399
Base-Backbone interact. energy: -3.907
local terms energy: -943.006849
where:
bonds (distance) C4'-P energy: -173.608
bonds (distance) P-C4' energy: -180.633
flat angles C4'-P-C4' energy: -204.645
flat angles P-C4'-P energy: -129.379
tors. eta vs tors. theta energy: -254.743
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: 3
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -2756.051076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2756.051076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2756.051076 (E_RNA)
where:
Base-Base interactions energy: -1897.801
where: short stacking energy: -781.297
Base-Backbone interact. energy: -4.008
local terms energy: -854.241979
where:
bonds (distance) C4'-P energy: -160.224
bonds (distance) P-C4' energy: -157.731
flat angles C4'-P-C4' energy: -175.023
flat angles P-C4'-P energy: -127.393
tors. eta vs tors. theta energy: -233.871
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: 429
Temperature: 1.050000
Total energy: -2605.384456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2605.384456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2605.384456 (E_RNA)
where:
Base-Base interactions energy: -1774.190
where: short stacking energy: -731.276
Base-Backbone interact. energy: -0.044
local terms energy: -831.150840
where:
bonds (distance) C4'-P energy: -178.038
bonds (distance) P-C4' energy: -156.441
flat angles C4'-P-C4' energy: -194.400
flat angles P-C4'-P energy: -89.726
tors. eta vs tors. theta energy: -212.546
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: 6
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -2398.299714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2398.299714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2398.299714 (E_RNA)
where:
Base-Base interactions energy: -1605.046
where: short stacking energy: -686.150
Base-Backbone interact. energy: 1.842
local terms energy: -795.096519
where:
bonds (distance) C4'-P energy: -148.006
bonds (distance) P-C4' energy: -165.232
flat angles C4'-P-C4' energy: -162.515
flat angles P-C4'-P energy: -120.138
tors. eta vs tors. theta energy: -199.206
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: 9
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -2188.292753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.292753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.292753 (E_RNA)
where:
Base-Base interactions energy: -1472.917
where: short stacking energy: -638.171
Base-Backbone interact. energy: -2.041
local terms energy: -713.334416
where:
bonds (distance) C4'-P energy: -140.093
bonds (distance) P-C4' energy: -159.999
flat angles C4'-P-C4' energy: -170.225
flat angles P-C4'-P energy: -80.771
tors. eta vs tors. theta energy: -162.246
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: 5
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -1939.764034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.764034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.764034 (E_RNA)
where:
Base-Base interactions energy: -1233.872
where: short stacking energy: -569.963
Base-Backbone interact. energy: -0.721
local terms energy: -705.170188
where:
bonds (distance) C4'-P energy: -137.838
bonds (distance) P-C4' energy: -158.989
flat angles C4'-P-C4' energy: -167.967
flat angles P-C4'-P energy: -88.072
tors. eta vs tors. theta energy: -152.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -1364.943380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.943380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.943380 (E_RNA)
where:
Base-Base interactions energy: -779.496
where: short stacking energy: -392.498
Base-Backbone interact. energy: -0.152
local terms energy: -585.295291
where:
bonds (distance) C4'-P energy: -157.658
bonds (distance) P-C4' energy: -142.519
flat angles C4'-P-C4' energy: -144.607
flat angles P-C4'-P energy: -89.255
tors. eta vs tors. theta energy: -51.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -819.959112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.959112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.959112 (E_RNA)
where:
Base-Base interactions energy: -383.222
where: short stacking energy: -267.146
Base-Backbone interact. energy: 2.148
local terms energy: -438.885520
where:
bonds (distance) C4'-P energy: -149.570
bonds (distance) P-C4' energy: -138.978
flat angles C4'-P-C4' energy: -112.490
flat angles P-C4'-P energy: -60.471
tors. eta vs tors. theta energy: 22.623
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: 4
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -770.794531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.794531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.794531 (E_RNA)
where:
Base-Base interactions energy: -359.508
where: short stacking energy: -225.321
Base-Backbone interact. energy: 6.480
local terms energy: -417.766421
where:
bonds (distance) C4'-P energy: -120.060
bonds (distance) P-C4' energy: -142.653
flat angles C4'-P-C4' energy: -123.674
flat angles P-C4'-P energy: -59.032
tors. eta vs tors. theta energy: 27.653
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: 1, replica: 7
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -2979.125750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2979.125750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2979.125750 (E_RNA)
where:
Base-Base interactions energy: -2034.502
where: short stacking energy: -849.515
Base-Backbone interact. energy: -4.024
local terms energy: -940.600239
where:
bonds (distance) C4'-P energy: -169.120
bonds (distance) P-C4' energy: -186.229
flat angles C4'-P-C4' energy: -206.761
flat angles P-C4'-P energy: -128.577
tors. eta vs tors. theta energy: -249.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -2956.783905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2956.783905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2956.783905 (E_RNA)
where:
Base-Base interactions energy: -2027.033
where: short stacking energy: -851.513
Base-Backbone interact. energy: -1.170
local terms energy: -928.580921
where:
bonds (distance) C4'-P energy: -178.930
bonds (distance) P-C4' energy: -169.973
flat angles C4'-P-C4' energy: -181.871
flat angles P-C4'-P energy: -138.639
tors. eta vs tors. theta energy: -259.168
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: 3
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -2767.486001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2767.486001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2767.486001 (E_RNA)
where:
Base-Base interactions energy: -1899.125
where: short stacking energy: -785.951
Base-Backbone interact. energy: -4.060
local terms energy: -864.300284
where:
bonds (distance) C4'-P energy: -168.636
bonds (distance) P-C4' energy: -165.965
flat angles C4'-P-C4' energy: -172.182
flat angles P-C4'-P energy: -121.008
tors. eta vs tors. theta energy: -236.510
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: 4, replica: 1
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -2621.402108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2621.402108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2621.402108 (E_RNA)
where:
Base-Base interactions energy: -1808.215
where: short stacking energy: -755.647
Base-Backbone interact. energy: 4.177
local terms energy: -817.364074
where:
bonds (distance) C4'-P energy: -156.755
bonds (distance) P-C4' energy: -140.543
flat angles C4'-P-C4' energy: -189.184
flat angles P-C4'-P energy: -119.707
tors. eta vs tors. theta energy: -211.175
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: 6
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -2415.136753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2415.136753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2415.136753 (E_RNA)
where:
Base-Base interactions energy: -1625.374
where: short stacking energy: -695.807
Base-Backbone interact. energy: -0.774
local terms energy: -788.989004
where:
bonds (distance) C4'-P energy: -139.587
bonds (distance) P-C4' energy: -174.579
flat angles C4'-P-C4' energy: -174.011
flat angles P-C4'-P energy: -106.544
tors. eta vs tors. theta energy: -194.268
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: 9
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -2194.746842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.746842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.746842 (E_RNA)
where:
Base-Base interactions energy: -1421.130
where: short stacking energy: -630.958
Base-Backbone interact. energy: -3.657
local terms energy: -769.959342
where:
bonds (distance) C4'-P energy: -138.094
bonds (distance) P-C4' energy: -156.171
flat angles C4'-P-C4' energy: -177.855
flat angles P-C4'-P energy: -117.251
tors. eta vs tors. theta energy: -180.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -1874.097795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.097795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.097795 (E_RNA)
where:
Base-Base interactions energy: -1226.335
where: short stacking energy: -525.803
Base-Backbone interact. energy: -2.782
local terms energy: -644.980400
where:
bonds (distance) C4'-P energy: -142.131
bonds (distance) P-C4' energy: -154.263
flat angles C4'-P-C4' energy: -138.872
flat angles P-C4'-P energy: -96.638
tors. eta vs tors. theta energy: -113.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -1470.764814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.764814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.764814 (E_RNA)
where:
Base-Base interactions energy: -837.203
where: short stacking energy: -429.566
Base-Backbone interact. energy: -0.861
local terms energy: -632.700933
where:
bonds (distance) C4'-P energy: -152.160
bonds (distance) P-C4' energy: -153.849
flat angles C4'-P-C4' energy: -142.731
flat angles P-C4'-P energy: -105.554
tors. eta vs tors. theta energy: -78.408
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: 2
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -900.470064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.470064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.470064 (E_RNA)
where:
Base-Base interactions energy: -422.127
where: short stacking energy: -268.889
Base-Backbone interact. energy: 0.064
local terms energy: -478.407409
where:
bonds (distance) C4'-P energy: -135.435
bonds (distance) P-C4' energy: -154.322
flat angles C4'-P-C4' energy: -126.207
flat angles P-C4'-P energy: -66.345
tors. eta vs tors. theta energy: 3.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -781.870986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.870986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.870986 (E_RNA)
where:
Base-Base interactions energy: -317.065
where: short stacking energy: -183.767
Base-Backbone interact. energy: 0.298
local terms energy: -465.104609
where:
bonds (distance) C4'-P energy: -141.458
bonds (distance) P-C4' energy: -150.025
flat angles C4'-P-C4' energy: -107.456
flat angles P-C4'-P energy: -95.007
tors. eta vs tors. theta energy: 28.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -2981.144292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2981.144292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2981.144292 (E_RNA)
where:
Base-Base interactions energy: -2051.745
where: short stacking energy: -851.949
Base-Backbone interact. energy: -2.323
local terms energy: -927.076919
where:
bonds (distance) C4'-P energy: -179.910
bonds (distance) P-C4' energy: -182.576
flat angles C4'-P-C4' energy: -196.732
flat angles P-C4'-P energy: -108.580
tors. eta vs tors. theta energy: -259.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -2990.904028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2990.904028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2990.904028 (E_RNA)
where:
Base-Base interactions energy: -2048.875
where: short stacking energy: -839.101
Base-Backbone interact. energy: -4.913
local terms energy: -937.116620
where:
bonds (distance) C4'-P energy: -180.480
bonds (distance) P-C4' energy: -165.609
flat angles C4'-P-C4' energy: -200.316
flat angles P-C4'-P energy: -112.319
tors. eta vs tors. theta energy: -278.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -2741.790396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2741.790396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2741.790396 (E_RNA)
where:
Base-Base interactions energy: -1900.969
where: short stacking energy: -753.136
Base-Backbone interact. energy: -2.047
local terms energy: -838.773761
where:
bonds (distance) C4'-P energy: -166.484
bonds (distance) P-C4' energy: -165.397
flat angles C4'-P-C4' energy: -183.758
flat angles P-C4'-P energy: -112.615
tors. eta vs tors. theta energy: -210.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -2617.240675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2617.240675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2617.240675 (E_RNA)
where:
Base-Base interactions energy: -1769.046
where: short stacking energy: -744.716
Base-Backbone interact. energy: -6.139
local terms energy: -842.054901
where:
bonds (distance) C4'-P energy: -155.112
bonds (distance) P-C4' energy: -162.911
flat angles C4'-P-C4' energy: -183.297
flat angles P-C4'-P energy: -114.667
tors. eta vs tors. theta energy: -226.067
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: 6
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -2431.339831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2431.339831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2431.339831 (E_RNA)
where:
Base-Base interactions energy: -1618.369
where: short stacking energy: -696.302
Base-Backbone interact. energy: -0.095
local terms energy: -812.875310
where:
bonds (distance) C4'-P energy: -157.471
bonds (distance) P-C4' energy: -171.610
flat angles C4'-P-C4' energy: -172.612
flat angles P-C4'-P energy: -119.670
tors. eta vs tors. theta energy: -191.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -2281.632907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2281.632907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2281.632907 (E_RNA)
where:
Base-Base interactions energy: -1516.389
where: short stacking energy: -671.393
Base-Backbone interact. energy: -0.762
local terms energy: -764.481791
where:
bonds (distance) C4'-P energy: -152.282
bonds (distance) P-C4' energy: -138.519
flat angles C4'-P-C4' energy: -178.667
flat angles P-C4'-P energy: -114.346
tors. eta vs tors. theta energy: -180.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -1934.605604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.605604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.605604 (E_RNA)
where:
Base-Base interactions energy: -1212.029
where: short stacking energy: -529.538
Base-Backbone interact. energy: 0.424
local terms energy: -723.001100
where:
bonds (distance) C4'-P energy: -173.857
bonds (distance) P-C4' energy: -167.106
flat angles C4'-P-C4' energy: -171.079
flat angles P-C4'-P energy: -84.408
tors. eta vs tors. theta energy: -126.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -1402.147080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.147080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.147080 (E_RNA)
where:
Base-Base interactions energy: -774.490
where: short stacking energy: -380.053
Base-Backbone interact. energy: -3.588
local terms energy: -624.069109
where:
bonds (distance) C4'-P energy: -160.516
bonds (distance) P-C4' energy: -154.003
flat angles C4'-P-C4' energy: -145.962
flat angles P-C4'-P energy: -118.471
tors. eta vs tors. theta energy: -45.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -891.631502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.631502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.631502 (E_RNA)
where:
Base-Base interactions energy: -414.486
where: short stacking energy: -274.808
Base-Backbone interact. energy: -1.709
local terms energy: -475.437003
where:
bonds (distance) C4'-P energy: -141.651
bonds (distance) P-C4' energy: -151.623
flat angles C4'-P-C4' energy: -111.722
flat angles P-C4'-P energy: -70.157
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: 10, replica: 4
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -786.409974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.409974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.409974 (E_RNA)
where:
Base-Base interactions energy: -351.103
where: short stacking energy: -222.795
Base-Backbone interact. energy: -3.586
local terms energy: -431.720852
where:
bonds (distance) C4'-P energy: -108.688
bonds (distance) P-C4' energy: -142.905
flat angles C4'-P-C4' energy: -130.143
flat angles P-C4'-P energy: -76.116
tors. eta vs tors. theta energy: 26.131
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: 1, replica: 7
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -2993.456227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2993.456227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2993.456227 (E_RNA)
where:
Base-Base interactions energy: -2054.918
where: short stacking energy: -839.305
Base-Backbone interact. energy: 0.903
local terms energy: -939.440852
where:
bonds (distance) C4'-P energy: -178.086
bonds (distance) P-C4' energy: -181.746
flat angles C4'-P-C4' energy: -202.276
flat angles P-C4'-P energy: -126.532
tors. eta vs tors. theta energy: -250.801
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: 2, replica: 10
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -2967.077366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2967.077366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2967.077366 (E_RNA)
where:
Base-Base interactions energy: -2059.851
where: short stacking energy: -870.247
Base-Backbone interact. energy: -6.695
local terms energy: -900.531572
where:
bonds (distance) C4'-P energy: -162.505
bonds (distance) P-C4' energy: -172.450
flat angles C4'-P-C4' energy: -188.564
flat angles P-C4'-P energy: -119.501
tors. eta vs tors. theta energy: -257.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -2735.226177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2735.226177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2735.226177 (E_RNA)
where:
Base-Base interactions energy: -1895.689
where: short stacking energy: -767.106
Base-Backbone interact. energy: 3.160
local terms energy: -842.697832
where:
bonds (distance) C4'-P energy: -160.457
bonds (distance) P-C4' energy: -181.364
flat angles C4'-P-C4' energy: -179.020
flat angles P-C4'-P energy: -100.132
tors. eta vs tors. theta energy: -221.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -2550.004742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.004742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2550.004742 (E_RNA)
where:
Base-Base interactions energy: -1744.830
where: short stacking energy: -723.456
Base-Backbone interact. energy: -2.138
local terms energy: -803.036420
where:
bonds (distance) C4'-P energy: -150.484
bonds (distance) P-C4' energy: -144.588
flat angles C4'-P-C4' energy: -180.118
flat angles P-C4'-P energy: -120.278
tors. eta vs tors. theta energy: -207.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -2465.585534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2465.585534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2465.585534 (E_RNA)
where:
Base-Base interactions energy: -1644.482
where: short stacking energy: -750.858
Base-Backbone interact. energy: -1.587
local terms energy: -819.517019
where:
bonds (distance) C4'-P energy: -155.651
bonds (distance) P-C4' energy: -173.412
flat angles C4'-P-C4' energy: -172.261
flat angles P-C4'-P energy: -108.613
tors. eta vs tors. theta energy: -209.580
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: 6, replica: 9
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -2167.042641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.042641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2167.042641 (E_RNA)
where:
Base-Base interactions energy: -1407.758
where: short stacking energy: -636.955
Base-Backbone interact. energy: -1.547
local terms energy: -757.737518
where:
bonds (distance) C4'-P energy: -157.213
bonds (distance) P-C4' energy: -145.598
flat angles C4'-P-C4' energy: -168.464
flat angles P-C4'-P energy: -104.366
tors. eta vs tors. theta energy: -182.097
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: 5
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -1893.863553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.863553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.863553 (E_RNA)
where:
Base-Base interactions energy: -1199.810
where: short stacking energy: -528.967
Base-Backbone interact. energy: -1.750
local terms energy: -692.303912
where:
bonds (distance) C4'-P energy: -151.055
bonds (distance) P-C4' energy: -144.494
flat angles C4'-P-C4' energy: -174.270
flat angles P-C4'-P energy: -93.697
tors. eta vs tors. theta energy: -128.788
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: 8, replica: 8
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -1356.239927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.239927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.239927 (E_RNA)
where:
Base-Base interactions energy: -800.915
where: short stacking energy: -388.696
Base-Backbone interact. energy: 6.778
local terms energy: -562.103046
where:
bonds (distance) C4'-P energy: -135.846
bonds (distance) P-C4' energy: -145.365
flat angles C4'-P-C4' energy: -147.021
flat angles P-C4'-P energy: -74.315
tors. eta vs tors. theta energy: -59.556
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: 2
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -930.661951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.661951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.661951 (E_RNA)
where:
Base-Base interactions energy: -456.943
where: short stacking energy: -256.928
Base-Backbone interact. energy: -2.364
local terms energy: -471.355020
where:
bonds (distance) C4'-P energy: -127.132
bonds (distance) P-C4' energy: -171.419
flat angles C4'-P-C4' energy: -124.435
flat angles P-C4'-P energy: -53.468
tors. eta vs tors. theta energy: 5.100
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: 10, replica: 4
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -811.515295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.515295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.515295 (E_RNA)
where:
Base-Base interactions energy: -358.803
where: short stacking energy: -226.331
Base-Backbone interact. energy: 2.637
local terms energy: -455.349180
where:
bonds (distance) C4'-P energy: -147.320
bonds (distance) P-C4' energy: -148.459
flat angles C4'-P-C4' energy: -105.763
flat angles P-C4'-P energy: -58.358
tors. eta vs tors. theta energy: 4.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -3030.537804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3030.537804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3030.537804 (E_RNA)
where:
Base-Base interactions energy: -2062.011
where: short stacking energy: -851.028
Base-Backbone interact. energy: -3.490
local terms energy: -965.036722
where:
bonds (distance) C4'-P energy: -189.116
bonds (distance) P-C4' energy: -186.158
flat angles C4'-P-C4' energy: -199.929
flat angles P-C4'-P energy: -131.700
tors. eta vs tors. theta energy: -258.133
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: 2, replica: 10
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -2938.139346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2938.139346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2938.139346 (E_RNA)
where:
Base-Base interactions energy: -2021.480
where: short stacking energy: -853.835
Base-Backbone interact. energy: -4.822
local terms energy: -911.837503
where:
bonds (distance) C4'-P energy: -170.089
bonds (distance) P-C4' energy: -155.582
flat angles C4'-P-C4' energy: -197.208
flat angles P-C4'-P energy: -125.018
tors. eta vs tors. theta energy: -263.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -2755.897066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2755.897066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2755.897066 (E_RNA)
where:
Base-Base interactions energy: -1911.146
where: short stacking energy: -801.378
Base-Backbone interact. energy: -3.437
local terms energy: -841.313598
where:
bonds (distance) C4'-P energy: -161.550
bonds (distance) P-C4' energy: -169.375
flat angles C4'-P-C4' energy: -176.144
flat angles P-C4'-P energy: -112.269
tors. eta vs tors. theta energy: -221.975
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: 1
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -2606.230392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2606.230392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2606.230392 (E_RNA)
where:
Base-Base interactions energy: -1757.027
where: short stacking energy: -751.418
Base-Backbone interact. energy: -1.345
local terms energy: -847.858985
where:
bonds (distance) C4'-P energy: -144.794
bonds (distance) P-C4' energy: -177.070
flat angles C4'-P-C4' energy: -176.790
flat angles P-C4'-P energy: -117.891
tors. eta vs tors. theta energy: -231.314
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: 6
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -2422.728307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2422.728307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2422.728307 (E_RNA)
where:
Base-Base interactions energy: -1625.367
where: short stacking energy: -675.572
Base-Backbone interact. energy: -2.866
local terms energy: -794.495314
where:
bonds (distance) C4'-P energy: -153.155
bonds (distance) P-C4' energy: -144.179
flat angles C4'-P-C4' energy: -193.134
flat angles P-C4'-P energy: -112.944
tors. eta vs tors. theta energy: -191.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -2173.296176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.296176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2173.296176 (E_RNA)
where:
Base-Base interactions energy: -1448.428
where: short stacking energy: -628.392
Base-Backbone interact. energy: -1.009
local terms energy: -723.858752
where:
bonds (distance) C4'-P energy: -145.602
bonds (distance) P-C4' energy: -144.564
flat angles C4'-P-C4' energy: -157.411
flat angles P-C4'-P energy: -108.012
tors. eta vs tors. theta energy: -168.271
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: 7, replica: 5
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -1943.226688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.226688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.226688 (E_RNA)
where:
Base-Base interactions energy: -1218.866
where: short stacking energy: -532.734
Base-Backbone interact. energy: -2.003
local terms energy: -722.357392
where:
bonds (distance) C4'-P energy: -160.705
bonds (distance) P-C4' energy: -183.398
flat angles C4'-P-C4' energy: -158.190
flat angles P-C4'-P energy: -105.910
tors. eta vs tors. theta energy: -114.155
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: 8
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -1357.074825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.074825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.074825 (E_RNA)
where:
Base-Base interactions energy: -784.898
where: short stacking energy: -412.558
Base-Backbone interact. energy: -0.806
local terms energy: -571.371457
where:
bonds (distance) C4'-P energy: -131.624
bonds (distance) P-C4' energy: -151.811
flat angles C4'-P-C4' energy: -151.052
flat angles P-C4'-P energy: -78.542
tors. eta vs tors. theta energy: -58.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -901.849532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.849532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.849532 (E_RNA)
where:
Base-Base interactions energy: -394.263
where: short stacking energy: -233.218
Base-Backbone interact. energy: 1.768
local terms energy: -509.354771
where:
bonds (distance) C4'-P energy: -127.127
bonds (distance) P-C4' energy: -175.816
flat angles C4'-P-C4' energy: -136.887
flat angles P-C4'-P energy: -78.540
tors. eta vs tors. theta energy: 9.014
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: 4
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -824.810742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.810742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.810742 (E_RNA)
where:
Base-Base interactions energy: -393.207
where: short stacking energy: -257.704
Base-Backbone interact. energy: 5.770
local terms energy: -437.373474
where:
bonds (distance) C4'-P energy: -126.349
bonds (distance) P-C4' energy: -138.948
flat angles C4'-P-C4' energy: -123.600
flat angles P-C4'-P energy: -48.255
tors. eta vs tors. theta energy: -0.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -2989.311584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2989.311584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2989.311584 (E_RNA)
where:
Base-Base interactions energy: -2023.750
where: short stacking energy: -866.916
Base-Backbone interact. energy: -0.240
local terms energy: -965.321057
where:
bonds (distance) C4'-P energy: -172.386
bonds (distance) P-C4' energy: -187.755
flat angles C4'-P-C4' energy: -192.362
flat angles P-C4'-P energy: -144.823
tors. eta vs tors. theta energy: -267.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -2933.264910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2933.264910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2933.264910 (E_RNA)
where:
Base-Base interactions energy: -1999.386
where: short stacking energy: -829.193
Base-Backbone interact. energy: -2.841
local terms energy: -931.038646
where:
bonds (distance) C4'-P energy: -160.857
bonds (distance) P-C4' energy: -183.172
flat angles C4'-P-C4' energy: -199.697
flat angles P-C4'-P energy: -130.345
tors. eta vs tors. theta energy: -256.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -2741.792476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2741.792476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2741.792476 (E_RNA)
where:
Base-Base interactions energy: -1879.017
where: short stacking energy: -734.603
Base-Backbone interact. energy: -4.870
local terms energy: -857.906043
where:
bonds (distance) C4'-P energy: -159.560
bonds (distance) P-C4' energy: -173.807
flat angles C4'-P-C4' energy: -176.335
flat angles P-C4'-P energy: -117.247
tors. eta vs tors. theta energy: -230.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -2608.421730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2608.421730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2608.421730 (E_RNA)
where:
Base-Base interactions energy: -1758.196
where: short stacking energy: -739.760
Base-Backbone interact. energy: -5.223
local terms energy: -845.003401
where:
bonds (distance) C4'-P energy: -164.386
bonds (distance) P-C4' energy: -167.736
flat angles C4'-P-C4' energy: -181.821
flat angles P-C4'-P energy: -124.481
tors. eta vs tors. theta energy: -206.579
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: 6
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -2439.205442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2439.205442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2439.205442 (E_RNA)
where:
Base-Base interactions energy: -1609.482
where: short stacking energy: -703.042
Base-Backbone interact. energy: -3.840
local terms energy: -825.883213
where:
bonds (distance) C4'-P energy: -149.902
bonds (distance) P-C4' energy: -161.785
flat angles C4'-P-C4' energy: -172.353
flat angles P-C4'-P energy: -125.432
tors. eta vs tors. theta energy: -216.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -2149.911018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2149.911018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.911018 (E_RNA)
where:
Base-Base interactions energy: -1390.542
where: short stacking energy: -617.692
Base-Backbone interact. energy: -1.990
local terms energy: -757.379663
where:
bonds (distance) C4'-P energy: -142.399
bonds (distance) P-C4' energy: -160.730
flat angles C4'-P-C4' energy: -180.298
flat angles P-C4'-P energy: -103.020
tors. eta vs tors. theta energy: -170.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -1996.148132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.148132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.148132 (E_RNA)
where:
Base-Base interactions energy: -1279.172
where: short stacking energy: -561.169
Base-Backbone interact. energy: -0.565
local terms energy: -716.411967
where:
bonds (distance) C4'-P energy: -144.464
bonds (distance) P-C4' energy: -163.746
flat angles C4'-P-C4' energy: -163.652
flat angles P-C4'-P energy: -96.486
tors. eta vs tors. theta energy: -148.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -1332.465716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.465716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.465716 (E_RNA)
where:
Base-Base interactions energy: -752.708
where: short stacking energy: -410.807
Base-Backbone interact. energy: -2.250
local terms energy: -577.507444
where:
bonds (distance) C4'-P energy: -140.972
bonds (distance) P-C4' energy: -154.354
flat angles C4'-P-C4' energy: -142.272
flat angles P-C4'-P energy: -82.793
tors. eta vs tors. theta energy: -57.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -908.591985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.591985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.591985 (E_RNA)
where:
Base-Base interactions energy: -422.788
where: short stacking energy: -259.011
Base-Backbone interact. energy: 0.951
local terms energy: -486.754760
where:
bonds (distance) C4'-P energy: -141.438
bonds (distance) P-C4' energy: -151.148
flat angles C4'-P-C4' energy: -113.231
flat angles P-C4'-P energy: -78.811
tors. eta vs tors. theta energy: -2.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -863.029730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.029730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.029730 (E_RNA)
where:
Base-Base interactions energy: -387.700
where: short stacking energy: -220.383
Base-Backbone interact. energy: -2.364
local terms energy: -472.965630
where:
bonds (distance) C4'-P energy: -144.399
bonds (distance) P-C4' energy: -154.430
flat angles C4'-P-C4' energy: -120.180
flat angles P-C4'-P energy: -70.290
tors. eta vs tors. theta energy: 16.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -2996.385308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2996.385308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2996.385308 (E_RNA)
where:
Base-Base interactions energy: -2039.953
where: short stacking energy: -878.396
Base-Backbone interact. energy: -1.736
local terms energy: -954.696288
where:
bonds (distance) C4'-P energy: -178.870
bonds (distance) P-C4' energy: -168.688
flat angles C4'-P-C4' energy: -200.998
flat angles P-C4'-P energy: -139.409
tors. eta vs tors. theta energy: -266.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -2948.179460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2948.179460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2948.179460 (E_RNA)
where:
Base-Base interactions energy: -2019.685
where: short stacking energy: -836.036
Base-Backbone interact. energy: -7.826
local terms energy: -920.668559
where:
bonds (distance) C4'-P energy: -170.647
bonds (distance) P-C4' energy: -168.964
flat angles C4'-P-C4' energy: -194.059
flat angles P-C4'-P energy: -124.084
tors. eta vs tors. theta energy: -262.914
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: 3
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -2720.405740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2720.405740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2720.405740 (E_RNA)
where:
Base-Base interactions energy: -1860.490
where: short stacking energy: -741.001
Base-Backbone interact. energy: -7.376
local terms energy: -852.539811
where:
bonds (distance) C4'-P energy: -159.357
bonds (distance) P-C4' energy: -178.517
flat angles C4'-P-C4' energy: -180.687
flat angles P-C4'-P energy: -114.842
tors. eta vs tors. theta energy: -219.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -2665.667107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2665.667107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2665.667107 (E_RNA)
where:
Base-Base interactions energy: -1825.139
where: short stacking energy: -741.852
Base-Backbone interact. energy: -0.172
local terms energy: -840.355781
where:
bonds (distance) C4'-P energy: -167.408
bonds (distance) P-C4' energy: -143.719
flat angles C4'-P-C4' energy: -170.628
flat angles P-C4'-P energy: -110.179
tors. eta vs tors. theta energy: -248.421
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: 435
Temperature: 1.100000
Total energy: -2445.700589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2445.700589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2445.700589 (E_RNA)
where:
Base-Base interactions energy: -1653.891
where: short stacking energy: -715.103
Base-Backbone interact. energy: -1.836
local terms energy: -789.972949
where:
bonds (distance) C4'-P energy: -130.669
bonds (distance) P-C4' energy: -163.289
flat angles C4'-P-C4' energy: -176.955
flat angles P-C4'-P energy: -113.266
tors. eta vs tors. theta energy: -205.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -2155.202890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2155.202890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2155.202890 (E_RNA)
where:
Base-Base interactions energy: -1402.213
where: short stacking energy: -607.213
Base-Backbone interact. energy: -2.146
local terms energy: -750.843570
where:
bonds (distance) C4'-P energy: -129.161
bonds (distance) P-C4' energy: -173.864
flat angles C4'-P-C4' energy: -170.313
flat angles P-C4'-P energy: -113.371
tors. eta vs tors. theta energy: -164.135
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: 7, replica: 5
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -2037.075040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.075040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.075040 (E_RNA)
where:
Base-Base interactions energy: -1334.185
where: short stacking energy: -577.883
Base-Backbone interact. energy: -0.558
local terms energy: -702.332465
where:
bonds (distance) C4'-P energy: -137.285
bonds (distance) P-C4' energy: -160.338
flat angles C4'-P-C4' energy: -149.573
flat angles P-C4'-P energy: -104.018
tors. eta vs tors. theta energy: -151.119
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: 8
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -1320.542301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.542301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.542301 (E_RNA)
where:
Base-Base interactions energy: -741.210
where: short stacking energy: -387.827
Base-Backbone interact. energy: 1.319
local terms energy: -580.651083
where:
bonds (distance) C4'-P energy: -156.432
bonds (distance) P-C4' energy: -144.989
flat angles C4'-P-C4' energy: -146.698
flat angles P-C4'-P energy: -74.472
tors. eta vs tors. theta energy: -58.060
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: 435
Temperature: 1.300000
Total energy: -870.236132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.236132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.236132 (E_RNA)
where:
Base-Base interactions energy: -428.957
where: short stacking energy: -244.355
Base-Backbone interact. energy: -2.289
local terms energy: -438.989993
where:
bonds (distance) C4'-P energy: -121.172
bonds (distance) P-C4' energy: -135.402
flat angles C4'-P-C4' energy: -120.574
flat angles P-C4'-P energy: -81.401
tors. eta vs tors. theta energy: 19.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -857.916654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.916654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.916654 (E_RNA)
where:
Base-Base interactions energy: -401.699
where: short stacking energy: -253.953
Base-Backbone interact. energy: 3.566
local terms energy: -459.784105
where:
bonds (distance) C4'-P energy: -127.442
bonds (distance) P-C4' energy: -147.146
flat angles C4'-P-C4' energy: -121.143
flat angles P-C4'-P energy: -60.607
tors. eta vs tors. theta energy: -3.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -3012.205224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3012.205224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3012.205224 (E_RNA)
where:
Base-Base interactions energy: -2064.832
where: short stacking energy: -875.817
Base-Backbone interact. energy: -6.130
local terms energy: -941.244017
where:
bonds (distance) C4'-P energy: -170.413
bonds (distance) P-C4' energy: -189.758
flat angles C4'-P-C4' energy: -186.583
flat angles P-C4'-P energy: -135.247
tors. eta vs tors. theta energy: -259.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -2950.378840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2950.378840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2950.378840 (E_RNA)
where:
Base-Base interactions energy: -1999.571
where: short stacking energy: -833.236
Base-Backbone interact. energy: -5.045
local terms energy: -945.763079
where:
bonds (distance) C4'-P energy: -188.365
bonds (distance) P-C4' energy: -167.490
flat angles C4'-P-C4' energy: -199.887
flat angles P-C4'-P energy: -128.817
tors. eta vs tors. theta energy: -261.205
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: 3, replica: 3
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -2721.671830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2721.671830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2721.671830 (E_RNA)
where:
Base-Base interactions energy: -1853.237
where: short stacking energy: -775.775
Base-Backbone interact. energy: -3.787
local terms energy: -864.647511
where:
bonds (distance) C4'-P energy: -156.108
bonds (distance) P-C4' energy: -159.364
flat angles C4'-P-C4' energy: -202.936
flat angles P-C4'-P energy: -118.708
tors. eta vs tors. theta energy: -227.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -2668.338642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2668.338642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2668.338642 (E_RNA)
where:
Base-Base interactions energy: -1836.727
where: short stacking energy: -759.116
Base-Backbone interact. energy: -2.187
local terms energy: -829.423909
where:
bonds (distance) C4'-P energy: -165.188
bonds (distance) P-C4' energy: -153.768
flat angles C4'-P-C4' energy: -188.132
flat angles P-C4'-P energy: -108.666
tors. eta vs tors. theta energy: -213.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -2527.227045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2527.227045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2527.227045 (E_RNA)
where:
Base-Base interactions energy: -1715.948
where: short stacking energy: -737.052
Base-Backbone interact. energy: -4.588
local terms energy: -806.691017
where:
bonds (distance) C4'-P energy: -165.310
bonds (distance) P-C4' energy: -150.825
flat angles C4'-P-C4' energy: -168.046
flat angles P-C4'-P energy: -110.994
tors. eta vs tors. theta energy: -211.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -2223.375263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2223.375263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2223.375263 (E_RNA)
where:
Base-Base interactions energy: -1459.321
where: short stacking energy: -650.811
Base-Backbone interact. energy: -1.381
local terms energy: -762.673251
where:
bonds (distance) C4'-P energy: -138.157
bonds (distance) P-C4' energy: -182.815
flat angles C4'-P-C4' energy: -160.105
flat angles P-C4'-P energy: -99.654
tors. eta vs tors. theta energy: -181.943
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: 5
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -1954.672756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.672756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.672756 (E_RNA)
where:
Base-Base interactions energy: -1254.522
where: short stacking energy: -544.508
Base-Backbone interact. energy: -0.908
local terms energy: -699.243113
where:
bonds (distance) C4'-P energy: -141.309
bonds (distance) P-C4' energy: -154.302
flat angles C4'-P-C4' energy: -177.972
flat angles P-C4'-P energy: -95.201
tors. eta vs tors. theta energy: -130.459
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: 8
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -1238.552987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.552987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.552987 (E_RNA)
where:
Base-Base interactions energy: -678.567
where: short stacking energy: -352.853
Base-Backbone interact. energy: 0.404
local terms energy: -560.389736
where:
bonds (distance) C4'-P energy: -147.251
bonds (distance) P-C4' energy: -158.248
flat angles C4'-P-C4' energy: -121.510
flat angles P-C4'-P energy: -81.985
tors. eta vs tors. theta energy: -51.396
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: 4
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -885.900941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.900941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.900941 (E_RNA)
where:
Base-Base interactions energy: -412.377
where: short stacking energy: -242.572
Base-Backbone interact. energy: 1.857
local terms energy: -475.381120
where:
bonds (distance) C4'-P energy: -150.306
bonds (distance) P-C4' energy: -141.180
flat angles C4'-P-C4' energy: -130.546
flat angles P-C4'-P energy: -75.274
tors. eta vs tors. theta energy: 21.924
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: 2
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -812.603170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.603170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.603170 (E_RNA)
where:
Base-Base interactions energy: -363.348
where: short stacking energy: -217.694
Base-Backbone interact. energy: 3.310
local terms energy: -452.565683
where:
bonds (distance) C4'-P energy: -118.511
bonds (distance) P-C4' energy: -175.170
flat angles C4'-P-C4' energy: -94.433
flat angles P-C4'-P energy: -88.595
tors. eta vs tors. theta energy: 24.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -3022.275937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3022.275937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3022.275937 (E_RNA)
where:
Base-Base interactions energy: -2057.968
where: short stacking energy: -867.814
Base-Backbone interact. energy: -5.026
local terms energy: -959.281787
where:
bonds (distance) C4'-P energy: -168.423
bonds (distance) P-C4' energy: -191.444
flat angles C4'-P-C4' energy: -202.105
flat angles P-C4'-P energy: -136.783
tors. eta vs tors. theta energy: -260.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -2909.954082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2909.954082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2909.954082 (E_RNA)
where:
Base-Base interactions energy: -2007.447
where: short stacking energy: -821.966
Base-Backbone interact. energy: 1.485
local terms energy: -903.992467
where:
bonds (distance) C4'-P energy: -172.314
bonds (distance) P-C4' energy: -171.215
flat angles C4'-P-C4' energy: -184.987
flat angles P-C4'-P energy: -125.646
tors. eta vs tors. theta energy: -249.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -2712.158410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2712.158410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2712.158410 (E_RNA)
where:
Base-Base interactions energy: -1869.877
where: short stacking energy: -793.994
Base-Backbone interact. energy: 3.897
local terms energy: -846.178548
where:
bonds (distance) C4'-P energy: -161.404
bonds (distance) P-C4' energy: -151.530
flat angles C4'-P-C4' energy: -181.148
flat angles P-C4'-P energy: -123.390
tors. eta vs tors. theta energy: -228.707
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: 1
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -2638.033639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2638.033639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2638.033639 (E_RNA)
where:
Base-Base interactions energy: -1813.601
where: short stacking energy: -760.947
Base-Backbone interact. energy: -2.849
local terms energy: -821.583922
where:
bonds (distance) C4'-P energy: -144.728
bonds (distance) P-C4' energy: -155.110
flat angles C4'-P-C4' energy: -181.325
flat angles P-C4'-P energy: -118.917
tors. eta vs tors. theta energy: -221.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -2518.756130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2518.756130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2518.756130 (E_RNA)
where:
Base-Base interactions energy: -1713.041
where: short stacking energy: -748.791
Base-Backbone interact. energy: -4.933
local terms energy: -800.781995
where:
bonds (distance) C4'-P energy: -153.000
bonds (distance) P-C4' energy: -141.444
flat angles C4'-P-C4' energy: -186.031
flat angles P-C4'-P energy: -108.085
tors. eta vs tors. theta energy: -212.222
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: 9
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -2205.827318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2205.827318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2205.827318 (E_RNA)
where:
Base-Base interactions energy: -1437.961
where: short stacking energy: -623.228
Base-Backbone interact. energy: -0.881
local terms energy: -766.985571
where:
bonds (distance) C4'-P energy: -145.812
bonds (distance) P-C4' energy: -161.119
flat angles C4'-P-C4' energy: -183.419
flat angles P-C4'-P energy: -101.496
tors. eta vs tors. theta energy: -175.139
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: 5
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -1953.533114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.533114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.533114 (E_RNA)
where:
Base-Base interactions energy: -1273.018
where: short stacking energy: -599.573
Base-Backbone interact. energy: 2.357
local terms energy: -682.872358
where:
bonds (distance) C4'-P energy: -139.465
bonds (distance) P-C4' energy: -145.723
flat angles C4'-P-C4' energy: -163.933
flat angles P-C4'-P energy: -90.034
tors. eta vs tors. theta energy: -143.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -1265.083915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.083915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.083915 (E_RNA)
where:
Base-Base interactions energy: -680.024
where: short stacking energy: -368.755
Base-Backbone interact. energy: 10.500
local terms energy: -595.559494
where:
bonds (distance) C4'-P energy: -139.577
bonds (distance) P-C4' energy: -147.588
flat angles C4'-P-C4' energy: -153.914
flat angles P-C4'-P energy: -102.394
tors. eta vs tors. theta energy: -52.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -930.159760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.159760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.159760 (E_RNA)
where:
Base-Base interactions energy: -446.648
where: short stacking energy: -264.575
Base-Backbone interact. energy: 3.215
local terms energy: -486.726297
where:
bonds (distance) C4'-P energy: -145.231
bonds (distance) P-C4' energy: -149.776
flat angles C4'-P-C4' energy: -118.340
flat angles P-C4'-P energy: -77.028
tors. eta vs tors. theta energy: 3.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -851.689487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.689487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.689487 (E_RNA)
where:
Base-Base interactions energy: -380.942
where: short stacking energy: -253.140
Base-Backbone interact. energy: -2.879
local terms energy: -467.868432
where:
bonds (distance) C4'-P energy: -129.854
bonds (distance) P-C4' energy: -141.635
flat angles C4'-P-C4' energy: -119.782
flat angles P-C4'-P energy: -81.305
tors. eta vs tors. theta energy: 4.708
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: 438
Temperature: 0.900000
Total energy: -3042.095339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3042.095339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3042.095339 (E_RNA)
where:
Base-Base interactions energy: -2051.196
where: short stacking energy: -846.938
Base-Backbone interact. energy: -5.160
local terms energy: -985.739201
where:
bonds (distance) C4'-P energy: -174.477
bonds (distance) P-C4' energy: -190.532
flat angles C4'-P-C4' energy: -219.374
flat angles P-C4'-P energy: -139.074
tors. eta vs tors. theta energy: -262.283
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: 10
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -2940.478563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2940.478563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2940.478563 (E_RNA)
where:
Base-Base interactions energy: -2000.004
where: short stacking energy: -851.617
Base-Backbone interact. energy: 1.175
local terms energy: -941.649812
where:
bonds (distance) C4'-P energy: -179.881
bonds (distance) P-C4' energy: -172.524
flat angles C4'-P-C4' energy: -203.265
flat angles P-C4'-P energy: -122.856
tors. eta vs tors. theta energy: -263.124
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: 3, replica: 3
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -2673.884892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2673.884892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2673.884892 (E_RNA)
where:
Base-Base interactions energy: -1847.170
where: short stacking energy: -750.042
Base-Backbone interact. energy: -1.419
local terms energy: -825.295937
where:
bonds (distance) C4'-P energy: -163.059
bonds (distance) P-C4' energy: -169.499
flat angles C4'-P-C4' energy: -172.274
flat angles P-C4'-P energy: -116.243
tors. eta vs tors. theta energy: -204.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -2657.200087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2657.200087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2657.200087 (E_RNA)
where:
Base-Base interactions energy: -1808.068
where: short stacking energy: -751.299
Base-Backbone interact. energy: -3.985
local terms energy: -845.146903
where:
bonds (distance) C4'-P energy: -158.285
bonds (distance) P-C4' energy: -162.569
flat angles C4'-P-C4' energy: -171.617
flat angles P-C4'-P energy: -109.244
tors. eta vs tors. theta energy: -243.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -2479.020135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2479.020135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2479.020135 (E_RNA)
where:
Base-Base interactions energy: -1691.365
where: short stacking energy: -720.374
Base-Backbone interact. energy: 0.549
local terms energy: -788.203986
where:
bonds (distance) C4'-P energy: -151.509
bonds (distance) P-C4' energy: -149.445
flat angles C4'-P-C4' energy: -187.568
flat angles P-C4'-P energy: -119.130
tors. eta vs tors. theta energy: -180.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -2158.806092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2158.806092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2158.806092 (E_RNA)
where:
Base-Base interactions energy: -1395.685
where: short stacking energy: -640.905
Base-Backbone interact. energy: 0.237
local terms energy: -763.358110
where:
bonds (distance) C4'-P energy: -128.415
bonds (distance) P-C4' energy: -168.281
flat angles C4'-P-C4' energy: -173.528
flat angles P-C4'-P energy: -125.812
tors. eta vs tors. theta energy: -167.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -1882.147549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.147549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.147549 (E_RNA)
where:
Base-Base interactions energy: -1192.586
where: short stacking energy: -543.595
Base-Backbone interact. energy: -1.040
local terms energy: -688.521680
where:
bonds (distance) C4'-P energy: -157.746
bonds (distance) P-C4' energy: -155.969
flat angles C4'-P-C4' energy: -167.987
flat angles P-C4'-P energy: -90.073
tors. eta vs tors. theta energy: -116.746
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: 8
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -1176.091396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.091396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.091396 (E_RNA)
where:
Base-Base interactions energy: -643.290
where: short stacking energy: -320.405
Base-Backbone interact. energy: -1.913
local terms energy: -530.889128
where:
bonds (distance) C4'-P energy: -144.813
bonds (distance) P-C4' energy: -141.978
flat angles C4'-P-C4' energy: -149.370
flat angles P-C4'-P energy: -70.203
tors. eta vs tors. theta energy: -24.525
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: 4
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -889.545117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.545117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.545117 (E_RNA)
where:
Base-Base interactions energy: -407.635
where: short stacking energy: -240.256
Base-Backbone interact. energy: -0.217
local terms energy: -481.693066
where:
bonds (distance) C4'-P energy: -147.715
bonds (distance) P-C4' energy: -143.286
flat angles C4'-P-C4' energy: -134.865
flat angles P-C4'-P energy: -69.577
tors. eta vs tors. theta energy: 13.751
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: 10, replica: 2
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -846.004927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.004927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.004927 (E_RNA)
where:
Base-Base interactions energy: -384.620
where: short stacking energy: -222.887
Base-Backbone interact. energy: 2.135
local terms energy: -463.519537
where:
bonds (distance) C4'-P energy: -146.240
bonds (distance) P-C4' energy: -149.269
flat angles C4'-P-C4' energy: -122.228
flat angles P-C4'-P energy: -71.376
tors. eta vs tors. theta energy: 25.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -3032.951770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3032.951770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3032.951770 (E_RNA)
where:
Base-Base interactions energy: -2117.809
where: short stacking energy: -893.460
Base-Backbone interact. energy: -2.119
local terms energy: -913.023789
where:
bonds (distance) C4'-P energy: -155.241
bonds (distance) P-C4' energy: -188.005
flat angles C4'-P-C4' energy: -195.072
flat angles P-C4'-P energy: -125.164
tors. eta vs tors. theta energy: -249.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -2916.405482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2916.405482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2916.405482 (E_RNA)
where:
Base-Base interactions energy: -2020.979
where: short stacking energy: -837.803
Base-Backbone interact. energy: -2.410
local terms energy: -893.015993
where:
bonds (distance) C4'-P energy: -171.453
bonds (distance) P-C4' energy: -168.884
flat angles C4'-P-C4' energy: -192.407
flat angles P-C4'-P energy: -118.251
tors. eta vs tors. theta energy: -242.021
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: 3
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -2730.883582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2730.883582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2730.883582 (E_RNA)
where:
Base-Base interactions energy: -1882.847
where: short stacking energy: -755.199
Base-Backbone interact. energy: -3.898
local terms energy: -844.137752
where:
bonds (distance) C4'-P energy: -171.073
bonds (distance) P-C4' energy: -153.228
flat angles C4'-P-C4' energy: -174.669
flat angles P-C4'-P energy: -131.514
tors. eta vs tors. theta energy: -213.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -2707.250393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2707.250393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2707.250393 (E_RNA)
where:
Base-Base interactions energy: -1849.045
where: short stacking energy: -760.813
Base-Backbone interact. energy: -1.061
local terms energy: -857.144349
where:
bonds (distance) C4'-P energy: -141.295
bonds (distance) P-C4' energy: -160.435
flat angles C4'-P-C4' energy: -196.462
flat angles P-C4'-P energy: -129.425
tors. eta vs tors. theta energy: -229.527
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: 5, replica: 6
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -2478.145438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2478.145438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2478.145438 (E_RNA)
where:
Base-Base interactions energy: -1664.000
where: short stacking energy: -701.184
Base-Backbone interact. energy: -0.674
local terms energy: -813.471677
where:
bonds (distance) C4'-P energy: -162.717
bonds (distance) P-C4' energy: -166.835
flat angles C4'-P-C4' energy: -175.596
flat angles P-C4'-P energy: -112.591
tors. eta vs tors. theta energy: -195.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -2144.995515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2144.995515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2144.995515 (E_RNA)
where:
Base-Base interactions energy: -1437.400
where: short stacking energy: -623.942
Base-Backbone interact. energy: -1.474
local terms energy: -706.121447
where:
bonds (distance) C4'-P energy: -125.061
bonds (distance) P-C4' energy: -154.795
flat angles C4'-P-C4' energy: -169.865
flat angles P-C4'-P energy: -96.946
tors. eta vs tors. theta energy: -159.455
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: 439
Temperature: 1.200000
Total energy: -1922.152976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.152976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.152976 (E_RNA)
where:
Base-Base interactions energy: -1228.245
where: short stacking energy: -568.627
Base-Backbone interact. energy: 2.977
local terms energy: -696.885266
where:
bonds (distance) C4'-P energy: -143.287
bonds (distance) P-C4' energy: -133.683
flat angles C4'-P-C4' energy: -186.907
flat angles P-C4'-P energy: -102.167
tors. eta vs tors. theta energy: -130.841
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: 8
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -1228.971642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.971642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.971642 (E_RNA)
where:
Base-Base interactions energy: -675.225
where: short stacking energy: -335.083
Base-Backbone interact. energy: -0.480
local terms energy: -553.266627
where:
bonds (distance) C4'-P energy: -167.457
bonds (distance) P-C4' energy: -143.238
flat angles C4'-P-C4' energy: -151.169
flat angles P-C4'-P energy: -63.151
tors. eta vs tors. theta energy: -28.252
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: 4
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -950.394945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.394945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.394945 (E_RNA)
where:
Base-Base interactions energy: -428.012
where: short stacking energy: -258.887
Base-Backbone interact. energy: -2.395
local terms energy: -519.988183
where:
bonds (distance) C4'-P energy: -128.092
bonds (distance) P-C4' energy: -163.804
flat angles C4'-P-C4' energy: -128.679
flat angles P-C4'-P energy: -79.310
tors. eta vs tors. theta energy: -20.103
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: 2
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -876.341712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.341712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.341712 (E_RNA)
where:
Base-Base interactions energy: -398.704
where: short stacking energy: -244.216
Base-Backbone interact. energy: -2.564
local terms energy: -475.074006
where:
bonds (distance) C4'-P energy: -132.547
bonds (distance) P-C4' energy: -140.181
flat angles C4'-P-C4' energy: -121.514
flat angles P-C4'-P energy: -90.187
tors. eta vs tors. theta energy: 9.355
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: 7
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -3039.154945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3039.154945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3039.154945 (E_RNA)
where:
Base-Base interactions energy: -2096.776
where: short stacking energy: -862.269
Base-Backbone interact. energy: -3.045
local terms energy: -939.334287
where:
bonds (distance) C4'-P energy: -180.007
bonds (distance) P-C4' energy: -178.466
flat angles C4'-P-C4' energy: -202.864
flat angles P-C4'-P energy: -125.799
tors. eta vs tors. theta energy: -252.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -2953.254594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2953.254594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2953.254594 (E_RNA)
where:
Base-Base interactions energy: -2021.170
where: short stacking energy: -853.046
Base-Backbone interact. energy: -4.196
local terms energy: -927.888895
where:
bonds (distance) C4'-P energy: -171.542
bonds (distance) P-C4' energy: -168.755
flat angles C4'-P-C4' energy: -193.400
flat angles P-C4'-P energy: -124.448
tors. eta vs tors. theta energy: -269.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -2768.971310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2768.971310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2768.971310 (E_RNA)
where:
Base-Base interactions energy: -1886.311
where: short stacking energy: -777.628
Base-Backbone interact. energy: -3.233
local terms energy: -879.427510
where:
bonds (distance) C4'-P energy: -160.886
bonds (distance) P-C4' energy: -164.049
flat angles C4'-P-C4' energy: -190.236
flat angles P-C4'-P energy: -135.749
tors. eta vs tors. theta energy: -228.507
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: 3
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -2643.083241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2643.083241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2643.083241 (E_RNA)
where:
Base-Base interactions energy: -1777.900
where: short stacking energy: -756.982
Base-Backbone interact. energy: 1.277
local terms energy: -866.460297
where:
bonds (distance) C4'-P energy: -163.176
bonds (distance) P-C4' energy: -175.548
flat angles C4'-P-C4' energy: -190.307
flat angles P-C4'-P energy: -122.787
tors. eta vs tors. theta energy: -214.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -2460.587751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2460.587751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2460.587751 (E_RNA)
where:
Base-Base interactions energy: -1660.324
where: short stacking energy: -693.231
Base-Backbone interact. energy: -1.198
local terms energy: -799.066563
where:
bonds (distance) C4'-P energy: -139.025
bonds (distance) P-C4' energy: -156.647
flat angles C4'-P-C4' energy: -185.763
flat angles P-C4'-P energy: -121.834
tors. eta vs tors. theta energy: -195.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -2136.648159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.648159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.648159 (E_RNA)
where:
Base-Base interactions energy: -1387.945
where: short stacking energy: -608.573
Base-Backbone interact. energy: -2.612
local terms energy: -746.091411
where:
bonds (distance) C4'-P energy: -145.648
bonds (distance) P-C4' energy: -167.369
flat angles C4'-P-C4' energy: -188.331
flat angles P-C4'-P energy: -87.243
tors. eta vs tors. theta energy: -157.501
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: 5
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -1900.667011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.667011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.667011 (E_RNA)
where:
Base-Base interactions energy: -1209.673
where: short stacking energy: -509.627
Base-Backbone interact. energy: -2.439
local terms energy: -688.555527
where:
bonds (distance) C4'-P energy: -150.641
bonds (distance) P-C4' energy: -146.358
flat angles C4'-P-C4' energy: -163.463
flat angles P-C4'-P energy: -97.280
tors. eta vs tors. theta energy: -130.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -1265.846456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.846456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.846456 (E_RNA)
where:
Base-Base interactions energy: -705.123
where: short stacking energy: -356.771
Base-Backbone interact. energy: -1.793
local terms energy: -558.931336
where:
bonds (distance) C4'-P energy: -151.827
bonds (distance) P-C4' energy: -153.968
flat angles C4'-P-C4' energy: -142.208
flat angles P-C4'-P energy: -91.698
tors. eta vs tors. theta energy: -19.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -936.213279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.213279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.213279 (E_RNA)
where:
Base-Base interactions energy: -434.706
where: short stacking energy: -282.825
Base-Backbone interact. energy: 4.224
local terms energy: -505.730512
where:
bonds (distance) C4'-P energy: -125.236
bonds (distance) P-C4' energy: -156.286
flat angles C4'-P-C4' energy: -130.152
flat angles P-C4'-P energy: -82.175
tors. eta vs tors. theta energy: -11.881
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: 10, replica: 2
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -809.557944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.557944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.557944 (E_RNA)
where:
Base-Base interactions energy: -363.236
where: short stacking energy: -212.995
Base-Backbone interact. energy: 2.549
local terms energy: -448.870670
where:
bonds (distance) C4'-P energy: -137.597
bonds (distance) P-C4' energy: -140.007
flat angles C4'-P-C4' energy: -133.217
flat angles P-C4'-P energy: -63.556
tors. eta vs tors. theta energy: 25.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -3026.749425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3026.749425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3026.749425 (E_RNA)
where:
Base-Base interactions energy: -2114.648
where: short stacking energy: -877.339
Base-Backbone interact. energy: -0.591
local terms energy: -911.510266
where:
bonds (distance) C4'-P energy: -175.040
bonds (distance) P-C4' energy: -166.987
flat angles C4'-P-C4' energy: -183.624
flat angles P-C4'-P energy: -133.250
tors. eta vs tors. theta energy: -252.609
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: 10
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -2956.970134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2956.970134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2956.970134 (E_RNA)
where:
Base-Base interactions energy: -2012.485
where: short stacking energy: -852.179
Base-Backbone interact. energy: -4.396
local terms energy: -940.089184
where:
bonds (distance) C4'-P energy: -178.802
bonds (distance) P-C4' energy: -180.489
flat angles C4'-P-C4' energy: -194.449
flat angles P-C4'-P energy: -125.711
tors. eta vs tors. theta energy: -260.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -2760.251367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2760.251367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2760.251367 (E_RNA)
where:
Base-Base interactions energy: -1840.389
where: short stacking energy: -773.746
Base-Backbone interact. energy: -3.438
local terms energy: -916.424867
where:
bonds (distance) C4'-P energy: -162.622
bonds (distance) P-C4' energy: -188.168
flat angles C4'-P-C4' energy: -201.676
flat angles P-C4'-P energy: -118.441
tors. eta vs tors. theta energy: -245.518
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: 3
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -2575.364801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2575.364801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2575.364801 (E_RNA)
where:
Base-Base interactions energy: -1766.632
where: short stacking energy: -711.990
Base-Backbone interact. energy: 0.326
local terms energy: -809.059235
where:
bonds (distance) C4'-P energy: -157.817
bonds (distance) P-C4' energy: -167.147
flat angles C4'-P-C4' energy: -180.910
flat angles P-C4'-P energy: -118.535
tors. eta vs tors. theta energy: -184.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -2486.199663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2486.199663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2486.199663 (E_RNA)
where:
Base-Base interactions energy: -1682.848
where: short stacking energy: -709.964
Base-Backbone interact. energy: 1.572
local terms energy: -804.922914
where:
bonds (distance) C4'-P energy: -159.763
bonds (distance) P-C4' energy: -159.318
flat angles C4'-P-C4' energy: -174.698
flat angles P-C4'-P energy: -104.805
tors. eta vs tors. theta energy: -206.338
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: 9
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -2203.603527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.603527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.603527 (E_RNA)
where:
Base-Base interactions energy: -1442.628
where: short stacking energy: -634.837
Base-Backbone interact. energy: -0.612
local terms energy: -760.363801
where:
bonds (distance) C4'-P energy: -166.073
bonds (distance) P-C4' energy: -150.609
flat angles C4'-P-C4' energy: -150.038
flat angles P-C4'-P energy: -115.281
tors. eta vs tors. theta energy: -178.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -1945.786025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.786025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.786025 (E_RNA)
where:
Base-Base interactions energy: -1273.564
where: short stacking energy: -582.014
Base-Backbone interact. energy: 4.651
local terms energy: -676.872915
where:
bonds (distance) C4'-P energy: -130.524
bonds (distance) P-C4' energy: -163.067
flat angles C4'-P-C4' energy: -164.014
flat angles P-C4'-P energy: -83.278
tors. eta vs tors. theta energy: -135.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -1283.149399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.149399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.149399 (E_RNA)
where:
Base-Base interactions energy: -703.954
where: short stacking energy: -367.065
Base-Backbone interact. energy: 1.629
local terms energy: -580.925782
where:
bonds (distance) C4'-P energy: -150.416
bonds (distance) P-C4' energy: -140.405
flat angles C4'-P-C4' energy: -146.180
flat angles P-C4'-P energy: -89.504
tors. eta vs tors. theta energy: -54.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.102 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -928.385775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.385775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.385775 (E_RNA)
where:
Base-Base interactions energy: -426.896
where: short stacking energy: -254.772
Base-Backbone interact. energy: 1.375
local terms energy: -502.864284
where:
bonds (distance) C4'-P energy: -139.490
bonds (distance) P-C4' energy: -159.358
flat angles C4'-P-C4' energy: -131.701
flat angles P-C4'-P energy: -61.195
tors. eta vs tors. theta energy: -11.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -817.115982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.115982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.115982 (E_RNA)
where:
Base-Base interactions energy: -372.560
where: short stacking energy: -235.428
Base-Backbone interact. energy: 4.453
local terms energy: -449.008850
where:
bonds (distance) C4'-P energy: -123.242
bonds (distance) P-C4' energy: -141.315
flat angles C4'-P-C4' energy: -138.006
flat angles P-C4'-P energy: -67.189
tors. eta vs tors. theta energy: 20.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -3025.920064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3025.920064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3025.920064 (E_RNA)
where:
Base-Base interactions energy: -2107.198
where: short stacking energy: -861.501
Base-Backbone interact. energy: 0.609
local terms energy: -919.331048
where:
bonds (distance) C4'-P energy: -178.613
bonds (distance) P-C4' energy: -178.424
flat angles C4'-P-C4' energy: -198.126
flat angles P-C4'-P energy: -112.800
tors. eta vs tors. theta energy: -251.369
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: 2, replica: 10
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -2949.597251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2949.597251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2949.597251 (E_RNA)
where:
Base-Base interactions energy: -2018.898
where: short stacking energy: -856.966
Base-Backbone interact. energy: -6.532
local terms energy: -924.167104
where:
bonds (distance) C4'-P energy: -152.063
bonds (distance) P-C4' energy: -173.377
flat angles C4'-P-C4' energy: -189.889
flat angles P-C4'-P energy: -144.955
tors. eta vs tors. theta energy: -263.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -2759.557613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2759.557613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2759.557613 (E_RNA)
where:
Base-Base interactions energy: -1853.646
where: short stacking energy: -765.129
Base-Backbone interact. energy: -4.029
local terms energy: -901.882584
where:
bonds (distance) C4'-P energy: -169.979
bonds (distance) P-C4' energy: -178.140
flat angles C4'-P-C4' energy: -202.031
flat angles P-C4'-P energy: -126.525
tors. eta vs tors. theta energy: -225.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -2594.791436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.791436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2594.791436 (E_RNA)
where:
Base-Base interactions energy: -1782.022
where: short stacking energy: -717.727
Base-Backbone interact. energy: -3.431
local terms energy: -809.337769
where:
bonds (distance) C4'-P energy: -155.050
bonds (distance) P-C4' energy: -152.255
flat angles C4'-P-C4' energy: -166.605
flat angles P-C4'-P energy: -115.610
tors. eta vs tors. theta energy: -219.816
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: 6
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -2479.427035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2479.427035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2479.427035 (E_RNA)
where:
Base-Base interactions energy: -1696.214
where: short stacking energy: -687.899
Base-Backbone interact. energy: 4.688
local terms energy: -787.901541
where:
bonds (distance) C4'-P energy: -156.741
bonds (distance) P-C4' energy: -155.085
flat angles C4'-P-C4' energy: -169.684
flat angles P-C4'-P energy: -106.722
tors. eta vs tors. theta energy: -199.670
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: 9
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -2145.223513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2145.223513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2145.223513 (E_RNA)
where:
Base-Base interactions energy: -1362.299
where: short stacking energy: -623.120
Base-Backbone interact. energy: 0.209
local terms energy: -783.133571
where:
bonds (distance) C4'-P energy: -143.050
bonds (distance) P-C4' energy: -161.049
flat angles C4'-P-C4' energy: -183.274
flat angles P-C4'-P energy: -117.844
tors. eta vs tors. theta energy: -177.917
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: 5
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -1885.993131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.993131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.993131 (E_RNA)
where:
Base-Base interactions energy: -1197.581
where: short stacking energy: -506.739
Base-Backbone interact. energy: 1.273
local terms energy: -689.684855
where:
bonds (distance) C4'-P energy: -150.910
bonds (distance) P-C4' energy: -137.223
flat angles C4'-P-C4' energy: -158.870
flat angles P-C4'-P energy: -118.463
tors. eta vs tors. theta energy: -124.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -1326.752718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.752718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.752718 (E_RNA)
where:
Base-Base interactions energy: -740.570
where: short stacking energy: -380.061
Base-Backbone interact. energy: -3.938
local terms energy: -582.244635
where:
bonds (distance) C4'-P energy: -136.734
bonds (distance) P-C4' energy: -156.973
flat angles C4'-P-C4' energy: -138.471
flat angles P-C4'-P energy: -102.606
tors. eta vs tors. theta energy: -47.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -874.880593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.880593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.880593 (E_RNA)
where:
Base-Base interactions energy: -385.142
where: short stacking energy: -244.566
Base-Backbone interact. energy: -2.920
local terms energy: -486.818392
where:
bonds (distance) C4'-P energy: -153.268
bonds (distance) P-C4' energy: -128.364
flat angles C4'-P-C4' energy: -125.508
flat angles P-C4'-P energy: -81.528
tors. eta vs tors. theta energy: 1.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -769.495981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.495981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.495981 (E_RNA)
where:
Base-Base interactions energy: -319.020
where: short stacking energy: -214.111
Base-Backbone interact. energy: -2.061
local terms energy: -448.415062
where:
bonds (distance) C4'-P energy: -135.175
bonds (distance) P-C4' energy: -154.039
flat angles C4'-P-C4' energy: -135.031
flat angles P-C4'-P energy: -49.597
tors. eta vs tors. theta energy: 25.427
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: 7
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -3040.722859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3040.722859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3040.722859 (E_RNA)
where:
Base-Base interactions energy: -2084.273
where: short stacking energy: -867.787
Base-Backbone interact. energy: -1.410
local terms energy: -955.039634
where:
bonds (distance) C4'-P energy: -177.967
bonds (distance) P-C4' energy: -168.470
flat angles C4'-P-C4' energy: -207.636
flat angles P-C4'-P energy: -139.702
tors. eta vs tors. theta energy: -261.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -2949.628804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2949.628804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2949.628804 (E_RNA)
where:
Base-Base interactions energy: -2022.064
where: short stacking energy: -844.605
Base-Backbone interact. energy: 1.633
local terms energy: -929.197839
where:
bonds (distance) C4'-P energy: -163.183
bonds (distance) P-C4' energy: -178.019
flat angles C4'-P-C4' energy: -193.516
flat angles P-C4'-P energy: -131.802
tors. eta vs tors. theta energy: -262.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -2710.097504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2710.097504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2710.097504 (E_RNA)
where:
Base-Base interactions energy: -1834.724
where: short stacking energy: -778.714
Base-Backbone interact. energy: -5.676
local terms energy: -869.698046
where:
bonds (distance) C4'-P energy: -147.905
bonds (distance) P-C4' energy: -179.371
flat angles C4'-P-C4' energy: -188.026
flat angles P-C4'-P energy: -129.065
tors. eta vs tors. theta energy: -225.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -2656.338338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2656.338338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2656.338338 (E_RNA)
where:
Base-Base interactions energy: -1846.862
where: short stacking energy: -764.137
Base-Backbone interact. energy: -4.798
local terms energy: -804.678602
where:
bonds (distance) C4'-P energy: -148.914
bonds (distance) P-C4' energy: -166.222
flat angles C4'-P-C4' energy: -158.884
flat angles P-C4'-P energy: -115.447
tors. eta vs tors. theta energy: -215.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -2537.453933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2537.453933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2537.453933 (E_RNA)
where:
Base-Base interactions energy: -1725.503
where: short stacking energy: -727.071
Base-Backbone interact. energy: 1.341
local terms energy: -813.292204
where:
bonds (distance) C4'-P energy: -155.213
bonds (distance) P-C4' energy: -180.096
flat angles C4'-P-C4' energy: -168.411
flat angles P-C4'-P energy: -118.302
tors. eta vs tors. theta energy: -191.270
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: 9
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -2179.911100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.911100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2179.911100 (E_RNA)
where:
Base-Base interactions energy: -1401.989
where: short stacking energy: -666.375
Base-Backbone interact. energy: -0.953
local terms energy: -776.968706
where:
bonds (distance) C4'-P energy: -145.334
bonds (distance) P-C4' energy: -152.240
flat angles C4'-P-C4' energy: -185.965
flat angles P-C4'-P energy: -106.223
tors. eta vs tors. theta energy: -187.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -1906.369584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.369584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.369584 (E_RNA)
where:
Base-Base interactions energy: -1249.757
where: short stacking energy: -531.448
Base-Backbone interact. energy: -2.229
local terms energy: -654.382770
where:
bonds (distance) C4'-P energy: -138.345
bonds (distance) P-C4' energy: -156.450
flat angles C4'-P-C4' energy: -155.283
flat angles P-C4'-P energy: -103.897
tors. eta vs tors. theta energy: -100.409
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: 443
Temperature: 1.250000
Total energy: -1286.395331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.395331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.395331 (E_RNA)
where:
Base-Base interactions energy: -757.212
where: short stacking energy: -362.102
Base-Backbone interact. energy: -2.991
local terms energy: -526.192198
where:
bonds (distance) C4'-P energy: -118.064
bonds (distance) P-C4' energy: -153.455
flat angles C4'-P-C4' energy: -137.270
flat angles P-C4'-P energy: -82.620
tors. eta vs tors. theta energy: -34.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -945.595010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.595010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.595010 (E_RNA)
where:
Base-Base interactions energy: -423.987
where: short stacking energy: -255.079
Base-Backbone interact. energy: 2.352
local terms energy: -523.960648
where:
bonds (distance) C4'-P energy: -146.990
bonds (distance) P-C4' energy: -133.140
flat angles C4'-P-C4' energy: -158.607
flat angles P-C4'-P energy: -88.326
tors. eta vs tors. theta energy: 3.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -725.167586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.167586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.167586 (E_RNA)
where:
Base-Base interactions energy: -237.504
where: short stacking energy: -166.913
Base-Backbone interact. energy: 1.243
local terms energy: -488.906066
where:
bonds (distance) C4'-P energy: -152.045
bonds (distance) P-C4' energy: -159.105
flat angles C4'-P-C4' energy: -129.141
flat angles P-C4'-P energy: -83.690
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: 1, replica: 10
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -3024.738178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3024.738178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3024.738178 (E_RNA)
where:
Base-Base interactions energy: -2084.377
where: short stacking energy: -867.770
Base-Backbone interact. energy: -4.051
local terms energy: -936.310277
where:
bonds (distance) C4'-P energy: -172.169
bonds (distance) P-C4' energy: -169.891
flat angles C4'-P-C4' energy: -201.004
flat angles P-C4'-P energy: -147.356
tors. eta vs tors. theta energy: -245.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -2943.665240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2943.665240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2943.665240 (E_RNA)
where:
Base-Base interactions energy: -2017.201
where: short stacking energy: -844.979
Base-Backbone interact. energy: -2.958
local terms energy: -923.506120
where:
bonds (distance) C4'-P energy: -158.503
bonds (distance) P-C4' energy: -196.569
flat angles C4'-P-C4' energy: -198.296
flat angles P-C4'-P energy: -123.313
tors. eta vs tors. theta energy: -246.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -2780.874416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2780.874416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2780.874416 (E_RNA)
where:
Base-Base interactions energy: -1877.997
where: short stacking energy: -778.794
Base-Backbone interact. energy: -5.811
local terms energy: -897.067183
where:
bonds (distance) C4'-P energy: -156.269
bonds (distance) P-C4' energy: -162.075
flat angles C4'-P-C4' energy: -208.961
flat angles P-C4'-P energy: -126.227
tors. eta vs tors. theta energy: -243.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -2658.173578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2658.173578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2658.173578 (E_RNA)
where:
Base-Base interactions energy: -1833.467
where: short stacking energy: -738.136
Base-Backbone interact. energy: -1.425
local terms energy: -823.281713
where:
bonds (distance) C4'-P energy: -146.201
bonds (distance) P-C4' energy: -141.016
flat angles C4'-P-C4' energy: -196.949
flat angles P-C4'-P energy: -124.065
tors. eta vs tors. theta energy: -215.051
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: 3
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -2503.734439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2503.734439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2503.734439 (E_RNA)
where:
Base-Base interactions energy: -1713.940
where: short stacking energy: -733.902
Base-Backbone interact. energy: -3.132
local terms energy: -786.662880
where:
bonds (distance) C4'-P energy: -142.456
bonds (distance) P-C4' energy: -154.089
flat angles C4'-P-C4' energy: -185.948
flat angles P-C4'-P energy: -102.551
tors. eta vs tors. theta energy: -201.618
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: 9
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -2154.402645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2154.402645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.402645 (E_RNA)
where:
Base-Base interactions energy: -1449.396
where: short stacking energy: -624.462
Base-Backbone interact. energy: -1.967
local terms energy: -703.040554
where:
bonds (distance) C4'-P energy: -134.799
bonds (distance) P-C4' energy: -141.839
flat angles C4'-P-C4' energy: -163.558
flat angles P-C4'-P energy: -94.597
tors. eta vs tors. theta energy: -168.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -1982.700991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.700991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.700991 (E_RNA)
where:
Base-Base interactions energy: -1274.034
where: short stacking energy: -584.279
Base-Backbone interact. energy: 0.030
local terms energy: -708.697024
where:
bonds (distance) C4'-P energy: -139.655
bonds (distance) P-C4' energy: -156.343
flat angles C4'-P-C4' energy: -170.227
flat angles P-C4'-P energy: -100.378
tors. eta vs tors. theta energy: -142.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -1355.596566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.596566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.596566 (E_RNA)
where:
Base-Base interactions energy: -791.259
where: short stacking energy: -376.974
Base-Backbone interact. energy: -2.646
local terms energy: -561.692137
where:
bonds (distance) C4'-P energy: -130.131
bonds (distance) P-C4' energy: -163.228
flat angles C4'-P-C4' energy: -138.169
flat angles P-C4'-P energy: -76.832
tors. eta vs tors. theta energy: -53.332
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: 4
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -917.464502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.464502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.464502 (E_RNA)
where:
Base-Base interactions energy: -420.256
where: short stacking energy: -252.750
Base-Backbone interact. energy: 2.476
local terms energy: -499.684502
where:
bonds (distance) C4'-P energy: -157.170
bonds (distance) P-C4' energy: -167.888
flat angles C4'-P-C4' energy: -104.227
flat angles P-C4'-P energy: -100.344
tors. eta vs tors. theta energy: 29.944
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: 2
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -919.675453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.675453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.675453 (E_RNA)
where:
Base-Base interactions energy: -415.892
where: short stacking energy: -232.566
Base-Backbone interact. energy: -1.513
local terms energy: -502.270016
where:
bonds (distance) C4'-P energy: -148.855
bonds (distance) P-C4' energy: -147.116
flat angles C4'-P-C4' energy: -123.032
flat angles P-C4'-P energy: -90.396
tors. eta vs tors. theta energy: 7.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -3042.799587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3042.799587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3042.799587 (E_RNA)
where:
Base-Base interactions energy: -2092.912
where: short stacking energy: -893.393
Base-Backbone interact. energy: -3.425
local terms energy: -946.462248
where:
bonds (distance) C4'-P energy: -166.980
bonds (distance) P-C4' energy: -178.239
flat angles C4'-P-C4' energy: -204.570
flat angles P-C4'-P energy: -128.800
tors. eta vs tors. theta energy: -267.873
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: 7
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -2951.237029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2951.237029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2951.237029 (E_RNA)
where:
Base-Base interactions energy: -2010.783
where: short stacking energy: -881.375
Base-Backbone interact. energy: -3.543
local terms energy: -936.911329
where:
bonds (distance) C4'-P energy: -173.902
bonds (distance) P-C4' energy: -175.245
flat angles C4'-P-C4' energy: -206.989
flat angles P-C4'-P energy: -120.553
tors. eta vs tors. theta energy: -260.223
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: 445
Temperature: 1.000000
Total energy: -2703.999738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2703.999738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2703.999738 (E_RNA)
where:
Base-Base interactions energy: -1836.991
where: short stacking energy: -746.264
Base-Backbone interact. energy: -3.255
local terms energy: -863.753120
where:
bonds (distance) C4'-P energy: -161.860
bonds (distance) P-C4' energy: -155.091
flat angles C4'-P-C4' energy: -186.772
flat angles P-C4'-P energy: -124.401
tors. eta vs tors. theta energy: -235.630
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: 6
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -2685.771385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2685.771385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2685.771385 (E_RNA)
where:
Base-Base interactions energy: -1830.557
where: short stacking energy: -758.048
Base-Backbone interact. energy: -4.272
local terms energy: -850.941873
where:
bonds (distance) C4'-P energy: -176.234
bonds (distance) P-C4' energy: -162.490
flat angles C4'-P-C4' energy: -183.401
flat angles P-C4'-P energy: -113.194
tors. eta vs tors. theta energy: -215.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -2448.110084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2448.110084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2448.110084 (E_RNA)
where:
Base-Base interactions energy: -1669.885
where: short stacking energy: -681.151
Base-Backbone interact. energy: -2.841
local terms energy: -775.384578
where:
bonds (distance) C4'-P energy: -149.697
bonds (distance) P-C4' energy: -162.386
flat angles C4'-P-C4' energy: -160.381
flat angles P-C4'-P energy: -107.258
tors. eta vs tors. theta energy: -195.663
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: 6, replica: 9
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -2232.145490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2232.145490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2232.145490 (E_RNA)
where:
Base-Base interactions energy: -1478.801
where: short stacking energy: -638.752
Base-Backbone interact. energy: -4.383
local terms energy: -748.961181
where:
bonds (distance) C4'-P energy: -133.259
bonds (distance) P-C4' energy: -163.476
flat angles C4'-P-C4' energy: -163.985
flat angles P-C4'-P energy: -103.217
tors. eta vs tors. theta energy: -185.024
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: 7, replica: 5
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -2028.732263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.732263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.732263 (E_RNA)
where:
Base-Base interactions energy: -1301.456
where: short stacking energy: -586.372
Base-Backbone interact. energy: -1.056
local terms energy: -726.220951
where:
bonds (distance) C4'-P energy: -169.377
bonds (distance) P-C4' energy: -135.455
flat angles C4'-P-C4' energy: -158.699
flat angles P-C4'-P energy: -119.030
tors. eta vs tors. theta energy: -143.660
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: 8, replica: 8
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -1339.964381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.964381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.964381 (E_RNA)
where:
Base-Base interactions energy: -809.262
where: short stacking energy: -415.979
Base-Backbone interact. energy: 1.029
local terms energy: -531.731554
where:
bonds (distance) C4'-P energy: -125.047
bonds (distance) P-C4' energy: -129.969
flat angles C4'-P-C4' energy: -144.879
flat angles P-C4'-P energy: -69.068
tors. eta vs tors. theta energy: -62.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -962.136056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.136056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.136056 (E_RNA)
where:
Base-Base interactions energy: -470.026
where: short stacking energy: -287.940
Base-Backbone interact. energy: -1.146
local terms energy: -490.964064
where:
bonds (distance) C4'-P energy: -143.937
bonds (distance) P-C4' energy: -147.954
flat angles C4'-P-C4' energy: -122.241
flat angles P-C4'-P energy: -71.912
tors. eta vs tors. theta energy: -4.920
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: 445
Temperature: 1.350000
Total energy: -941.094768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.094768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.094768 (E_RNA)
where:
Base-Base interactions energy: -444.672
where: short stacking energy: -253.604
Base-Backbone interact. energy: -5.045
local terms energy: -491.378077
where:
bonds (distance) C4'-P energy: -143.816
bonds (distance) P-C4' energy: -135.816
flat angles C4'-P-C4' energy: -144.234
flat angles P-C4'-P energy: -74.141
tors. eta vs tors. theta energy: 6.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -3022.338637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3022.338637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3022.338637 (E_RNA)
where:
Base-Base interactions energy: -2077.607
where: short stacking energy: -866.248
Base-Backbone interact. energy: -4.598
local terms energy: -940.133176
where:
bonds (distance) C4'-P energy: -183.213
bonds (distance) P-C4' energy: -166.938
flat angles C4'-P-C4' energy: -197.131
flat angles P-C4'-P energy: -133.197
tors. eta vs tors. theta energy: -259.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -2937.446377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2937.446377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2937.446377 (E_RNA)
where:
Base-Base interactions energy: -2020.257
where: short stacking energy: -867.248
Base-Backbone interact. energy: 1.951
local terms energy: -919.140831
where:
bonds (distance) C4'-P energy: -161.050
bonds (distance) P-C4' energy: -163.252
flat angles C4'-P-C4' energy: -194.978
flat angles P-C4'-P energy: -139.836
tors. eta vs tors. theta energy: -260.025
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: 1
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -2698.308353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2698.308353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2698.308353 (E_RNA)
where:
Base-Base interactions energy: -1837.038
where: short stacking energy: -781.000
Base-Backbone interact. energy: -2.035
local terms energy: -859.235278
where:
bonds (distance) C4'-P energy: -158.294
bonds (distance) P-C4' energy: -156.355
flat angles C4'-P-C4' energy: -189.135
flat angles P-C4'-P energy: -122.893
tors. eta vs tors. theta energy: -232.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -2661.118869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2661.118869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2661.118869 (E_RNA)
where:
Base-Base interactions energy: -1795.722
where: short stacking energy: -738.010
Base-Backbone interact. energy: -1.295
local terms energy: -864.101538
where:
bonds (distance) C4'-P energy: -175.775
bonds (distance) P-C4' energy: -173.960
flat angles C4'-P-C4' energy: -176.103
flat angles P-C4'-P energy: -120.702
tors. eta vs tors. theta energy: -217.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -2471.608130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2471.608130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2471.608130 (E_RNA)
where:
Base-Base interactions energy: -1693.666
where: short stacking energy: -666.066
Base-Backbone interact. energy: -3.613
local terms energy: -774.329422
where:
bonds (distance) C4'-P energy: -162.749
bonds (distance) P-C4' energy: -129.228
flat angles C4'-P-C4' energy: -188.495
flat angles P-C4'-P energy: -111.440
tors. eta vs tors. theta energy: -182.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -2214.485632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2214.485632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2214.485632 (E_RNA)
where:
Base-Base interactions energy: -1413.407
where: short stacking energy: -642.103
Base-Backbone interact. energy: -0.186
local terms energy: -800.892705
where:
bonds (distance) C4'-P energy: -159.251
bonds (distance) P-C4' energy: -165.427
flat angles C4'-P-C4' energy: -189.422
flat angles P-C4'-P energy: -114.630
tors. eta vs tors. theta energy: -172.164
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: 446
Temperature: 1.200000
Total energy: -1954.761282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.761282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.761282 (E_RNA)
where:
Base-Base interactions energy: -1257.016
where: short stacking energy: -583.590
Base-Backbone interact. energy: -1.041
local terms energy: -696.704216
where:
bonds (distance) C4'-P energy: -135.200
bonds (distance) P-C4' energy: -158.271
flat angles C4'-P-C4' energy: -163.367
flat angles P-C4'-P energy: -94.025
tors. eta vs tors. theta energy: -145.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -1270.797008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.797008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.797008 (E_RNA)
where:
Base-Base interactions energy: -718.664
where: short stacking energy: -370.195
Base-Backbone interact. energy: 11.405
local terms energy: -563.538020
where:
bonds (distance) C4'-P energy: -160.853
bonds (distance) P-C4' energy: -158.692
flat angles C4'-P-C4' energy: -127.821
flat angles P-C4'-P energy: -79.071
tors. eta vs tors. theta energy: -37.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -1014.542813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.542813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.542813 (E_RNA)
where:
Base-Base interactions energy: -509.759
where: short stacking energy: -296.882
Base-Backbone interact. energy: -0.531
local terms energy: -504.252944
where:
bonds (distance) C4'-P energy: -156.453
bonds (distance) P-C4' energy: -139.293
flat angles C4'-P-C4' energy: -140.088
flat angles P-C4'-P energy: -48.255
tors. eta vs tors. theta energy: -20.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -868.046604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.046604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.046604 (E_RNA)
where:
Base-Base interactions energy: -393.596
where: short stacking energy: -225.722
Base-Backbone interact. energy: -1.877
local terms energy: -472.574298
where:
bonds (distance) C4'-P energy: -131.222
bonds (distance) P-C4' energy: -139.095
flat angles C4'-P-C4' energy: -129.848
flat angles P-C4'-P energy: -75.166
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: 1, replica: 10
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -3007.817666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3007.817666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3007.817666 (E_RNA)
where:
Base-Base interactions energy: -2075.549
where: short stacking energy: -865.237
Base-Backbone interact. energy: -0.909
local terms energy: -931.359904
where:
bonds (distance) C4'-P energy: -165.843
bonds (distance) P-C4' energy: -187.356
flat angles C4'-P-C4' energy: -194.208
flat angles P-C4'-P energy: -126.707
tors. eta vs tors. theta energy: -257.245
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: 7
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -2937.231985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2937.231985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2937.231985 (E_RNA)
where:
Base-Base interactions energy: -2004.285
where: short stacking energy: -841.875
Base-Backbone interact. energy: -2.248
local terms energy: -930.698724
where:
bonds (distance) C4'-P energy: -165.393
bonds (distance) P-C4' energy: -182.940
flat angles C4'-P-C4' energy: -194.937
flat angles P-C4'-P energy: -137.953
tors. eta vs tors. theta energy: -249.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -2704.731726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2704.731726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2704.731726 (E_RNA)
where:
Base-Base interactions energy: -1812.174
where: short stacking energy: -745.160
Base-Backbone interact. energy: 1.035
local terms energy: -893.592601
where:
bonds (distance) C4'-P energy: -172.692
bonds (distance) P-C4' energy: -181.347
flat angles C4'-P-C4' energy: -191.939
flat angles P-C4'-P energy: -122.473
tors. eta vs tors. theta energy: -225.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -2611.774021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2611.774021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2611.774021 (E_RNA)
where:
Base-Base interactions energy: -1791.255
where: short stacking energy: -744.946
Base-Backbone interact. energy: -3.762
local terms energy: -816.756235
where:
bonds (distance) C4'-P energy: -152.071
bonds (distance) P-C4' energy: -151.623
flat angles C4'-P-C4' energy: -179.394
flat angles P-C4'-P energy: -120.110
tors. eta vs tors. theta energy: -213.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -2427.933999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2427.933999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2427.933999 (E_RNA)
where:
Base-Base interactions energy: -1669.536
where: short stacking energy: -716.929
Base-Backbone interact. energy: -1.243
local terms energy: -757.154883
where:
bonds (distance) C4'-P energy: -159.511
bonds (distance) P-C4' energy: -155.749
flat angles C4'-P-C4' energy: -164.042
flat angles P-C4'-P energy: -107.149
tors. eta vs tors. theta energy: -170.705
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: 9
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -2184.212888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2184.212888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.212888 (E_RNA)
where:
Base-Base interactions energy: -1414.539
where: short stacking energy: -638.782
Base-Backbone interact. energy: 2.493
local terms energy: -772.167035
where:
bonds (distance) C4'-P energy: -147.336
bonds (distance) P-C4' energy: -169.334
flat angles C4'-P-C4' energy: -172.972
flat angles P-C4'-P energy: -113.102
tors. eta vs tors. theta energy: -169.423
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: 447
Temperature: 1.200000
Total energy: -1967.389411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.389411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.389411 (E_RNA)
where:
Base-Base interactions energy: -1276.313
where: short stacking energy: -575.655
Base-Backbone interact. energy: -1.759
local terms energy: -689.316620
where:
bonds (distance) C4'-P energy: -142.721
bonds (distance) P-C4' energy: -151.939
flat angles C4'-P-C4' energy: -165.971
flat angles P-C4'-P energy: -93.041
tors. eta vs tors. theta energy: -135.644
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: 8
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -1265.898862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.898862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.898862 (E_RNA)
where:
Base-Base interactions energy: -680.239
where: short stacking energy: -342.658
Base-Backbone interact. energy: -0.662
local terms energy: -584.998535
where:
bonds (distance) C4'-P energy: -148.969
bonds (distance) P-C4' energy: -156.941
flat angles C4'-P-C4' energy: -142.459
flat angles P-C4'-P energy: -80.459
tors. eta vs tors. theta energy: -56.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -1070.029490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.029490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.029490 (E_RNA)
where:
Base-Base interactions energy: -539.686
where: short stacking energy: -278.965
Base-Backbone interact. energy: -5.841
local terms energy: -524.502629
where:
bonds (distance) C4'-P energy: -161.620
bonds (distance) P-C4' energy: -125.885
flat angles C4'-P-C4' energy: -130.608
flat angles P-C4'-P energy: -92.483
tors. eta vs tors. theta energy: -13.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -799.846167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.846167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.846167 (E_RNA)
where:
Base-Base interactions energy: -355.309
where: short stacking energy: -197.976
Base-Backbone interact. energy: -1.675
local terms energy: -442.861407
where:
bonds (distance) C4'-P energy: -148.118
bonds (distance) P-C4' energy: -140.034
flat angles C4'-P-C4' energy: -100.135
flat angles P-C4'-P energy: -78.284
tors. eta vs tors. theta energy: 23.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -3022.664214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3022.664214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3022.664214 (E_RNA)
where:
Base-Base interactions energy: -2089.731
where: short stacking energy: -885.869
Base-Backbone interact. energy: -4.913
local terms energy: -928.020255
where:
bonds (distance) C4'-P energy: -163.026
bonds (distance) P-C4' energy: -170.306
flat angles C4'-P-C4' energy: -195.547
flat angles P-C4'-P energy: -139.484
tors. eta vs tors. theta energy: -259.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -2971.248468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2971.248468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2971.248468 (E_RNA)
where:
Base-Base interactions energy: -2057.589
where: short stacking energy: -861.277
Base-Backbone interact. energy: -4.152
local terms energy: -909.507163
where:
bonds (distance) C4'-P energy: -158.183
bonds (distance) P-C4' energy: -159.546
flat angles C4'-P-C4' energy: -209.438
flat angles P-C4'-P energy: -123.766
tors. eta vs tors. theta energy: -258.573
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: 1
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -2733.068600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2733.068600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2733.068600 (E_RNA)
where:
Base-Base interactions energy: -1860.389
where: short stacking energy: -777.446
Base-Backbone interact. energy: -3.132
local terms energy: -869.548226
where:
bonds (distance) C4'-P energy: -159.682
bonds (distance) P-C4' energy: -173.731
flat angles C4'-P-C4' energy: -189.098
flat angles P-C4'-P energy: -121.076
tors. eta vs tors. theta energy: -225.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -2603.750848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.750848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2603.750848 (E_RNA)
where:
Base-Base interactions energy: -1762.678
where: short stacking energy: -749.090
Base-Backbone interact. energy: -3.637
local terms energy: -837.434973
where:
bonds (distance) C4'-P energy: -151.781
bonds (distance) P-C4' energy: -156.413
flat angles C4'-P-C4' energy: -198.491
flat angles P-C4'-P energy: -117.073
tors. eta vs tors. theta energy: -213.676
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: 5, replica: 3
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -2447.389613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2447.389613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2447.389613 (E_RNA)
where:
Base-Base interactions energy: -1679.237
where: short stacking energy: -673.030
Base-Backbone interact. energy: -5.261
local terms energy: -762.891695
where:
bonds (distance) C4'-P energy: -119.867
bonds (distance) P-C4' energy: -152.144
flat angles C4'-P-C4' energy: -182.501
flat angles P-C4'-P energy: -123.081
tors. eta vs tors. theta energy: -185.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -2152.742110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.742110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2152.742110 (E_RNA)
where:
Base-Base interactions energy: -1420.567
where: short stacking energy: -621.692
Base-Backbone interact. energy: -2.950
local terms energy: -729.225649
where:
bonds (distance) C4'-P energy: -159.581
bonds (distance) P-C4' energy: -149.254
flat angles C4'-P-C4' energy: -170.137
flat angles P-C4'-P energy: -86.383
tors. eta vs tors. theta energy: -163.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -1943.630794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.630794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.630794 (E_RNA)
where:
Base-Base interactions energy: -1279.974
where: short stacking energy: -568.437
Base-Backbone interact. energy: -1.835
local terms energy: -661.822225
where:
bonds (distance) C4'-P energy: -119.253
bonds (distance) P-C4' energy: -152.822
flat angles C4'-P-C4' energy: -150.662
flat angles P-C4'-P energy: -109.630
tors. eta vs tors. theta energy: -129.454
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: 8, replica: 8
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -1295.619245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.619245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.619245 (E_RNA)
where:
Base-Base interactions energy: -731.074
where: short stacking energy: -338.831
Base-Backbone interact. energy: -2.154
local terms energy: -562.391340
where:
bonds (distance) C4'-P energy: -144.501
bonds (distance) P-C4' energy: -159.406
flat angles C4'-P-C4' energy: -129.005
flat angles P-C4'-P energy: -96.241
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: 9, replica: 2
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -1102.039834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.039834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.039834 (E_RNA)
where:
Base-Base interactions energy: -602.980
where: short stacking energy: -320.859
Base-Backbone interact. energy: -2.937
local terms energy: -496.122654
where:
bonds (distance) C4'-P energy: -135.371
bonds (distance) P-C4' energy: -145.457
flat angles C4'-P-C4' energy: -121.122
flat angles P-C4'-P energy: -78.856
tors. eta vs tors. theta energy: -15.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -770.405740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.405740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.405740 (E_RNA)
where:
Base-Base interactions energy: -319.308
where: short stacking energy: -185.711
Base-Backbone interact. energy: -0.038
local terms energy: -451.059306
where:
bonds (distance) C4'-P energy: -140.210
bonds (distance) P-C4' energy: -142.190
flat angles C4'-P-C4' energy: -114.047
flat angles P-C4'-P energy: -76.736
tors. eta vs tors. theta energy: 22.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -3036.388674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3036.388674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3036.388674 (E_RNA)
where:
Base-Base interactions energy: -2082.184
where: short stacking energy: -867.780
Base-Backbone interact. energy: -3.240
local terms energy: -950.964859
where:
bonds (distance) C4'-P energy: -166.507
bonds (distance) P-C4' energy: -190.521
flat angles C4'-P-C4' energy: -202.920
flat angles P-C4'-P energy: -130.074
tors. eta vs tors. theta energy: -260.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -2987.165358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2987.165358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2987.165358 (E_RNA)
where:
Base-Base interactions energy: -2050.120
where: short stacking energy: -839.681
Base-Backbone interact. energy: -6.941
local terms energy: -930.104274
where:
bonds (distance) C4'-P energy: -162.018
bonds (distance) P-C4' energy: -171.070
flat angles C4'-P-C4' energy: -207.657
flat angles P-C4'-P energy: -125.732
tors. eta vs tors. theta energy: -263.627
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: 3, replica: 1
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -2742.033183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2742.033183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2742.033183 (E_RNA)
where:
Base-Base interactions energy: -1851.388
where: short stacking energy: -770.324
Base-Backbone interact. energy: -5.767
local terms energy: -884.878153
where:
bonds (distance) C4'-P energy: -160.815
bonds (distance) P-C4' energy: -166.490
flat angles C4'-P-C4' energy: -199.301
flat angles P-C4'-P energy: -125.332
tors. eta vs tors. theta energy: -232.940
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: 4, replica: 6
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -2640.094226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2640.094226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2640.094226 (E_RNA)
where:
Base-Base interactions energy: -1791.300
where: short stacking energy: -719.437
Base-Backbone interact. energy: 1.291
local terms energy: -850.085643
where:
bonds (distance) C4'-P energy: -146.279
bonds (distance) P-C4' energy: -173.581
flat angles C4'-P-C4' energy: -196.405
flat angles P-C4'-P energy: -122.747
tors. eta vs tors. theta energy: -211.073
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: 3
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -2494.067761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2494.067761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2494.067761 (E_RNA)
where:
Base-Base interactions energy: -1724.335
where: short stacking energy: -681.834
Base-Backbone interact. energy: -0.892
local terms energy: -768.840741
where:
bonds (distance) C4'-P energy: -154.872
bonds (distance) P-C4' energy: -147.082
flat angles C4'-P-C4' energy: -172.173
flat angles P-C4'-P energy: -98.177
tors. eta vs tors. theta energy: -196.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -2155.883494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2155.883494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2155.883494 (E_RNA)
where:
Base-Base interactions energy: -1435.140
where: short stacking energy: -653.214
Base-Backbone interact. energy: -3.715
local terms energy: -717.028629
where:
bonds (distance) C4'-P energy: -144.053
bonds (distance) P-C4' energy: -145.028
flat angles C4'-P-C4' energy: -163.794
flat angles P-C4'-P energy: -105.182
tors. eta vs tors. theta energy: -158.972
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: 5
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -1982.511814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.511814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.511814 (E_RNA)
where:
Base-Base interactions energy: -1302.569
where: short stacking energy: -603.032
Base-Backbone interact. energy: -2.091
local terms energy: -677.851729
where:
bonds (distance) C4'-P energy: -137.411
bonds (distance) P-C4' energy: -144.117
flat angles C4'-P-C4' energy: -147.516
flat angles P-C4'-P energy: -94.563
tors. eta vs tors. theta energy: -154.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -1318.184294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.184294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.184294 (E_RNA)
where:
Base-Base interactions energy: -782.718
where: short stacking energy: -374.028
Base-Backbone interact. energy: 4.121
local terms energy: -539.587754
where:
bonds (distance) C4'-P energy: -138.684
bonds (distance) P-C4' energy: -158.711
flat angles C4'-P-C4' energy: -128.155
flat angles P-C4'-P energy: -82.977
tors. eta vs tors. theta energy: -31.060
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: 449
Temperature: 1.300000
Total energy: -1131.440542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.440542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.440542 (E_RNA)
where:
Base-Base interactions energy: -649.180
where: short stacking energy: -352.752
Base-Backbone interact. energy: 1.756
local terms energy: -484.017150
where:
bonds (distance) C4'-P energy: -117.543
bonds (distance) P-C4' energy: -145.350
flat angles C4'-P-C4' energy: -115.479
flat angles P-C4'-P energy: -73.848
tors. eta vs tors. theta energy: -31.797
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: 4
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -801.058062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.058062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.058062 (E_RNA)
where:
Base-Base interactions energy: -350.514
where: short stacking energy: -227.102
Base-Backbone interact. energy: -4.621
local terms energy: -445.923363
where:
bonds (distance) C4'-P energy: -139.931
bonds (distance) P-C4' energy: -145.082
flat angles C4'-P-C4' energy: -106.008
flat angles P-C4'-P energy: -70.087
tors. eta vs tors. theta energy: 15.185
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: 7
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -3022.587792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3022.587792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3022.587792 (E_RNA)
where:
Base-Base interactions energy: -2072.132
where: short stacking energy: -886.925
Base-Backbone interact. energy: 0.765
local terms energy: -951.221489
where:
bonds (distance) C4'-P energy: -156.573
bonds (distance) P-C4' energy: -188.017
flat angles C4'-P-C4' energy: -209.100
flat angles P-C4'-P energy: -135.287
tors. eta vs tors. theta energy: -262.245
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: 450
Temperature: 0.950000
Total energy: -2950.185457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2950.185457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2950.185457 (E_RNA)
where:
Base-Base interactions energy: -2045.381
where: short stacking energy: -848.276
Base-Backbone interact. energy: -0.586
local terms energy: -904.218923
where:
bonds (distance) C4'-P energy: -167.841
bonds (distance) P-C4' energy: -164.793
flat angles C4'-P-C4' energy: -193.495
flat angles P-C4'-P energy: -130.130
tors. eta vs tors. theta energy: -247.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -2723.256476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2723.256476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2723.256476 (E_RNA)
where:
Base-Base interactions energy: -1854.485
where: short stacking energy: -778.553
Base-Backbone interact. energy: 5.319
local terms energy: -874.090547
where:
bonds (distance) C4'-P energy: -178.337
bonds (distance) P-C4' energy: -161.214
flat angles C4'-P-C4' energy: -191.197
flat angles P-C4'-P energy: -111.196
tors. eta vs tors. theta energy: -232.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -2615.721021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2615.721021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2615.721021 (E_RNA)
where:
Base-Base interactions energy: -1771.613
where: short stacking energy: -750.010
Base-Backbone interact. energy: -4.217
local terms energy: -839.891064
where:
bonds (distance) C4'-P energy: -155.562
bonds (distance) P-C4' energy: -162.749
flat angles C4'-P-C4' energy: -201.897
flat angles P-C4'-P energy: -110.424
tors. eta vs tors. theta energy: -209.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -2356.298416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.298416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2356.298416 (E_RNA)
where:
Base-Base interactions energy: -1576.007
where: short stacking energy: -668.797
Base-Backbone interact. energy: -0.982
local terms energy: -779.309628
where:
bonds (distance) C4'-P energy: -170.307
bonds (distance) P-C4' energy: -165.910
flat angles C4'-P-C4' energy: -169.230
flat angles P-C4'-P energy: -101.307
tors. eta vs tors. theta energy: -172.556
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: 6, replica: 9
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -2126.434204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.434204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.434204 (E_RNA)
where:
Base-Base interactions energy: -1361.030
where: short stacking energy: -643.669
Base-Backbone interact. energy: -0.386
local terms energy: -765.018218
where:
bonds (distance) C4'-P energy: -155.995
bonds (distance) P-C4' energy: -162.881
flat angles C4'-P-C4' energy: -171.375
flat angles P-C4'-P energy: -98.903
tors. eta vs tors. theta energy: -175.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -1961.856807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.856807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.856807 (E_RNA)
where:
Base-Base interactions energy: -1279.687
where: short stacking energy: -561.290
Base-Backbone interact. energy: 0.608
local terms energy: -682.778435
where:
bonds (distance) C4'-P energy: -143.381
bonds (distance) P-C4' energy: -146.445
flat angles C4'-P-C4' energy: -151.813
flat angles P-C4'-P energy: -92.948
tors. eta vs tors. theta energy: -148.192
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: 8, replica: 8
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -1245.023426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.023426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.023426 (E_RNA)
where:
Base-Base interactions energy: -681.881
where: short stacking energy: -358.757
Base-Backbone interact. energy: 4.697
local terms energy: -567.839118
where:
bonds (distance) C4'-P energy: -144.468
bonds (distance) P-C4' energy: -155.055
flat angles C4'-P-C4' energy: -132.506
flat angles P-C4'-P energy: -95.325
tors. eta vs tors. theta energy: -40.486
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: 2
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -1049.586073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.586073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.586073 (E_RNA)
where:
Base-Base interactions energy: -520.931
where: short stacking energy: -272.790
Base-Backbone interact. energy: 0.167
local terms energy: -528.822221
where:
bonds (distance) C4'-P energy: -156.154
bonds (distance) P-C4' energy: -180.678
flat angles C4'-P-C4' energy: -119.287
flat angles P-C4'-P energy: -70.980
tors. eta vs tors. theta energy: -1.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -798.494690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.494690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.494690 (E_RNA)
where:
Base-Base interactions energy: -364.426
where: short stacking energy: -226.752
Base-Backbone interact. energy: -1.518
local terms energy: -432.550470
where:
bonds (distance) C4'-P energy: -128.374
bonds (distance) P-C4' energy: -136.102
flat angles C4'-P-C4' energy: -112.844
flat angles P-C4'-P energy: -75.313
tors. eta vs tors. theta energy: 20.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -3032.359846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3032.359846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3032.359846 (E_RNA)
where:
Base-Base interactions energy: -2077.435
where: short stacking energy: -881.468
Base-Backbone interact. energy: -2.282
local terms energy: -952.642548
where:
bonds (distance) C4'-P energy: -177.199
bonds (distance) P-C4' energy: -180.078
flat angles C4'-P-C4' energy: -199.621
flat angles P-C4'-P energy: -131.894
tors. eta vs tors. theta energy: -263.851
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: 2, replica: 10
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -2944.681850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2944.681850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2944.681850 (E_RNA)
where:
Base-Base interactions energy: -2025.840
where: short stacking energy: -859.075
Base-Backbone interact. energy: 2.945
local terms energy: -921.786563
where:
bonds (distance) C4'-P energy: -174.570
bonds (distance) P-C4' energy: -185.706
flat angles C4'-P-C4' energy: -192.792
flat angles P-C4'-P energy: -117.055
tors. eta vs tors. theta energy: -251.664
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: 1
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -2744.369383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2744.369383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2744.369383 (E_RNA)
where:
Base-Base interactions energy: -1854.399
where: short stacking energy: -758.529
Base-Backbone interact. energy: -6.356
local terms energy: -883.613947
where:
bonds (distance) C4'-P energy: -167.369
bonds (distance) P-C4' energy: -176.553
flat angles C4'-P-C4' energy: -191.975
flat angles P-C4'-P energy: -128.089
tors. eta vs tors. theta energy: -219.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -2664.317447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2664.317447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2664.317447 (E_RNA)
where:
Base-Base interactions energy: -1827.033
where: short stacking energy: -740.667
Base-Backbone interact. energy: -7.140
local terms energy: -830.144515
where:
bonds (distance) C4'-P energy: -138.962
bonds (distance) P-C4' energy: -170.646
flat angles C4'-P-C4' energy: -196.228
flat angles P-C4'-P energy: -116.559
tors. eta vs tors. theta energy: -207.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -2379.843845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2379.843845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2379.843845 (E_RNA)
where:
Base-Base interactions energy: -1582.402
where: short stacking energy: -668.139
Base-Backbone interact. energy: -2.611
local terms energy: -794.831352
where:
bonds (distance) C4'-P energy: -148.070
bonds (distance) P-C4' energy: -166.859
flat angles C4'-P-C4' energy: -168.156
flat angles P-C4'-P energy: -132.734
tors. eta vs tors. theta energy: -179.013
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: 9
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -2106.433235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.433235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.433235 (E_RNA)
where:
Base-Base interactions energy: -1336.389
where: short stacking energy: -576.628
Base-Backbone interact. energy: -3.192
local terms energy: -766.852057
where:
bonds (distance) C4'-P energy: -151.999
bonds (distance) P-C4' energy: -171.269
flat angles C4'-P-C4' energy: -160.734
flat angles P-C4'-P energy: -128.114
tors. eta vs tors. theta energy: -154.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -1979.483273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1979.483273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.483273 (E_RNA)
where:
Base-Base interactions energy: -1272.003
where: short stacking energy: -532.215
Base-Backbone interact. energy: -3.221
local terms energy: -704.259238
where:
bonds (distance) C4'-P energy: -165.522
bonds (distance) P-C4' energy: -142.516
flat angles C4'-P-C4' energy: -168.672
flat angles P-C4'-P energy: -90.415
tors. eta vs tors. theta energy: -137.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -1187.727250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.727250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.727250 (E_RNA)
where:
Base-Base interactions energy: -671.777
where: short stacking energy: -354.721
Base-Backbone interact. energy: -0.209
local terms energy: -515.741012
where:
bonds (distance) C4'-P energy: -129.879
bonds (distance) P-C4' energy: -121.156
flat angles C4'-P-C4' energy: -144.680
flat angles P-C4'-P energy: -98.123
tors. eta vs tors. theta energy: -21.903
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: 9, replica: 2
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -1073.328632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.328632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.328632 (E_RNA)
where:
Base-Base interactions energy: -572.506
where: short stacking energy: -301.381
Base-Backbone interact. energy: -2.778
local terms energy: -498.043860
where:
bonds (distance) C4'-P energy: -127.900
bonds (distance) P-C4' energy: -139.421
flat angles C4'-P-C4' energy: -140.254
flat angles P-C4'-P energy: -70.406
tors. eta vs tors. theta energy: -20.064
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: 4
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -797.944711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.944711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.944711 (E_RNA)
where:
Base-Base interactions energy: -352.267
where: short stacking energy: -216.604
Base-Backbone interact. energy: -0.898
local terms energy: -444.780130
where:
bonds (distance) C4'-P energy: -114.923
bonds (distance) P-C4' energy: -170.237
flat angles C4'-P-C4' energy: -124.793
flat angles P-C4'-P energy: -67.997
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: 1, replica: 7
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -3026.646620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3026.646620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3026.646620 (E_RNA)
where:
Base-Base interactions energy: -2067.661
where: short stacking energy: -892.670
Base-Backbone interact. energy: -3.676
local terms energy: -955.309037
where:
bonds (distance) C4'-P energy: -175.595
bonds (distance) P-C4' energy: -178.327
flat angles C4'-P-C4' energy: -202.957
flat angles P-C4'-P energy: -129.997
tors. eta vs tors. theta energy: -268.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -2932.776191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2932.776191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2932.776191 (E_RNA)
where:
Base-Base interactions energy: -2000.207
where: short stacking energy: -844.222
Base-Backbone interact. energy: -3.571
local terms energy: -928.998124
where:
bonds (distance) C4'-P energy: -172.983
bonds (distance) P-C4' energy: -174.329
flat angles C4'-P-C4' energy: -199.296
flat angles P-C4'-P energy: -133.003
tors. eta vs tors. theta energy: -249.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -2710.609773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2710.609773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2710.609773 (E_RNA)
where:
Base-Base interactions energy: -1829.944
where: short stacking energy: -754.152
Base-Backbone interact. energy: -3.749
local terms energy: -876.917105
where:
bonds (distance) C4'-P energy: -160.143
bonds (distance) P-C4' energy: -188.304
flat angles C4'-P-C4' energy: -187.723
flat angles P-C4'-P energy: -120.142
tors. eta vs tors. theta energy: -220.606
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: 4, replica: 6
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -2586.095264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2586.095264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2586.095264 (E_RNA)
where:
Base-Base interactions energy: -1758.409
where: short stacking energy: -702.898
Base-Backbone interact. energy: -5.116
local terms energy: -822.570708
where:
bonds (distance) C4'-P energy: -159.609
bonds (distance) P-C4' energy: -177.746
flat angles C4'-P-C4' energy: -181.764
flat angles P-C4'-P energy: -100.460
tors. eta vs tors. theta energy: -202.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -2425.358037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2425.358037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2425.358037 (E_RNA)
where:
Base-Base interactions energy: -1646.417
where: short stacking energy: -668.501
Base-Backbone interact. energy: -5.938
local terms energy: -773.002717
where:
bonds (distance) C4'-P energy: -150.237
bonds (distance) P-C4' energy: -148.722
flat angles C4'-P-C4' energy: -171.779
flat angles P-C4'-P energy: -112.048
tors. eta vs tors. theta energy: -190.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -2152.346341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.346341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2152.346341 (E_RNA)
where:
Base-Base interactions energy: -1367.629
where: short stacking energy: -616.575
Base-Backbone interact. energy: 1.768
local terms energy: -786.485411
where:
bonds (distance) C4'-P energy: -169.878
bonds (distance) P-C4' energy: -158.160
flat angles C4'-P-C4' energy: -178.633
flat angles P-C4'-P energy: -104.674
tors. eta vs tors. theta energy: -175.140
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: 7, replica: 5
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -1950.056856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.056856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.056856 (E_RNA)
where:
Base-Base interactions energy: -1265.760
where: short stacking energy: -583.044
Base-Backbone interact. energy: -4.770
local terms energy: -679.527080
where:
bonds (distance) C4'-P energy: -137.627
bonds (distance) P-C4' energy: -152.086
flat angles C4'-P-C4' energy: -160.646
flat angles P-C4'-P energy: -96.652
tors. eta vs tors. theta energy: -132.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -1233.098624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.098624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.098624 (E_RNA)
where:
Base-Base interactions energy: -669.847
where: short stacking energy: -395.880
Base-Backbone interact. energy: -1.526
local terms energy: -561.725668
where:
bonds (distance) C4'-P energy: -132.219
bonds (distance) P-C4' energy: -133.704
flat angles C4'-P-C4' energy: -140.744
flat angles P-C4'-P energy: -100.148
tors. eta vs tors. theta energy: -54.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -1101.654975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.654975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.654975 (E_RNA)
where:
Base-Base interactions energy: -572.388
where: short stacking energy: -317.735
Base-Backbone interact. energy: -1.292
local terms energy: -527.974916
where:
bonds (distance) C4'-P energy: -141.068
bonds (distance) P-C4' energy: -139.661
flat angles C4'-P-C4' energy: -133.419
flat angles P-C4'-P energy: -89.327
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: 10, replica: 4
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -853.461652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.461652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.461652 (E_RNA)
where:
Base-Base interactions energy: -420.000
where: short stacking energy: -256.885
Base-Backbone interact. energy: 0.279
local terms energy: -433.740384
where:
bonds (distance) C4'-P energy: -139.346
bonds (distance) P-C4' energy: -127.701
flat angles C4'-P-C4' energy: -131.637
flat angles P-C4'-P energy: -41.961
tors. eta vs tors. theta energy: 6.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -2992.105074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2992.105074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2992.105074 (E_RNA)
where:
Base-Base interactions energy: -2033.119
where: short stacking energy: -895.999
Base-Backbone interact. energy: -0.002
local terms energy: -958.983845
where:
bonds (distance) C4'-P energy: -160.362
bonds (distance) P-C4' energy: -184.050
flat angles C4'-P-C4' energy: -208.907
flat angles P-C4'-P energy: -131.261
tors. eta vs tors. theta energy: -274.403
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: 2, replica: 10
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -2900.685983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2900.685983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2900.685983 (E_RNA)
where:
Base-Base interactions energy: -1992.011
where: short stacking energy: -854.905
Base-Backbone interact. energy: -1.799
local terms energy: -906.876491
where:
bonds (distance) C4'-P energy: -166.603
bonds (distance) P-C4' energy: -169.158
flat angles C4'-P-C4' energy: -188.147
flat angles P-C4'-P energy: -130.951
tors. eta vs tors. theta energy: -252.017
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: 453
Temperature: 1.000000
Total energy: -2717.301360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2717.301360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2717.301360 (E_RNA)
where:
Base-Base interactions energy: -1832.854
where: short stacking energy: -773.381
Base-Backbone interact. energy: 1.091
local terms energy: -885.538267
where:
bonds (distance) C4'-P energy: -176.782
bonds (distance) P-C4' energy: -173.929
flat angles C4'-P-C4' energy: -175.026
flat angles P-C4'-P energy: -129.340
tors. eta vs tors. theta energy: -230.461
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: 6
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -2579.505709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2579.505709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2579.505709 (E_RNA)
where:
Base-Base interactions energy: -1749.519
where: short stacking energy: -720.978
Base-Backbone interact. energy: -1.585
local terms energy: -828.402130
where:
bonds (distance) C4'-P energy: -165.804
bonds (distance) P-C4' energy: -147.651
flat angles C4'-P-C4' energy: -187.222
flat angles P-C4'-P energy: -128.851
tors. eta vs tors. theta energy: -198.875
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: 3
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -2419.507112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2419.507112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2419.507112 (E_RNA)
where:
Base-Base interactions energy: -1647.257
where: short stacking energy: -687.044
Base-Backbone interact. energy: -3.282
local terms energy: -768.968132
where:
bonds (distance) C4'-P energy: -135.792
bonds (distance) P-C4' energy: -166.714
flat angles C4'-P-C4' energy: -179.999
flat angles P-C4'-P energy: -104.367
tors. eta vs tors. theta energy: -182.096
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: 9
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -2242.141484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2242.141484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2242.141484 (E_RNA)
where:
Base-Base interactions energy: -1504.319
where: short stacking energy: -683.221
Base-Backbone interact. energy: -1.193
local terms energy: -736.629392
where:
bonds (distance) C4'-P energy: -137.949
bonds (distance) P-C4' energy: -165.316
flat angles C4'-P-C4' energy: -167.352
flat angles P-C4'-P energy: -103.796
tors. eta vs tors. theta energy: -162.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -2054.454561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.454561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.454561 (E_RNA)
where:
Base-Base interactions energy: -1374.945
where: short stacking energy: -595.700
Base-Backbone interact. energy: -1.584
local terms energy: -677.925070
where:
bonds (distance) C4'-P energy: -117.574
bonds (distance) P-C4' energy: -148.987
flat angles C4'-P-C4' energy: -168.174
flat angles P-C4'-P energy: -94.462
tors. eta vs tors. theta energy: -148.728
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: 8, replica: 8
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -1152.662179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.662179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.662179 (E_RNA)
where:
Base-Base interactions energy: -595.282
where: short stacking energy: -331.806
Base-Backbone interact. energy: 4.213
local terms energy: -561.592483
where:
bonds (distance) C4'-P energy: -162.817
bonds (distance) P-C4' energy: -164.726
flat angles C4'-P-C4' energy: -116.834
flat angles P-C4'-P energy: -63.711
tors. eta vs tors. theta energy: -53.505
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: 9, replica: 2
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -1012.704454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.704454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.704454 (E_RNA)
where:
Base-Base interactions energy: -525.745
where: short stacking energy: -257.303
Base-Backbone interact. energy: -0.129
local terms energy: -486.830027
where:
bonds (distance) C4'-P energy: -129.438
bonds (distance) P-C4' energy: -159.319
flat angles C4'-P-C4' energy: -116.318
flat angles P-C4'-P energy: -90.282
tors. eta vs tors. theta energy: 8.527
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: 10, replica: 4
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -796.581999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.581999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.581999 (E_RNA)
where:
Base-Base interactions energy: -357.466
where: short stacking energy: -217.590
Base-Backbone interact. energy: 0.521
local terms energy: -439.636845
where:
bonds (distance) C4'-P energy: -120.716
bonds (distance) P-C4' energy: -138.568
flat angles C4'-P-C4' energy: -115.795
flat angles P-C4'-P energy: -78.596
tors. eta vs tors. theta energy: 14.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -3031.109473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3031.109473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3031.109473 (E_RNA)
where:
Base-Base interactions energy: -2074.662
where: short stacking energy: -919.673
Base-Backbone interact. energy: -3.812
local terms energy: -952.635761
where:
bonds (distance) C4'-P energy: -162.524
bonds (distance) P-C4' energy: -176.760
flat angles C4'-P-C4' energy: -196.416
flat angles P-C4'-P energy: -136.846
tors. eta vs tors. theta energy: -280.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -2935.567788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2935.567788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2935.567788 (E_RNA)
where:
Base-Base interactions energy: -2010.642
where: short stacking energy: -861.001
Base-Backbone interact. energy: -2.348
local terms energy: -922.577388
where:
bonds (distance) C4'-P energy: -161.448
bonds (distance) P-C4' energy: -175.981
flat angles C4'-P-C4' energy: -198.940
flat angles P-C4'-P energy: -127.390
tors. eta vs tors. theta energy: -258.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -2708.990969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2708.990969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2708.990969 (E_RNA)
where:
Base-Base interactions energy: -1853.566
where: short stacking energy: -772.484
Base-Backbone interact. energy: 0.638
local terms energy: -856.062741
where:
bonds (distance) C4'-P energy: -160.292
bonds (distance) P-C4' energy: -183.981
flat angles C4'-P-C4' energy: -182.521
flat angles P-C4'-P energy: -110.522
tors. eta vs tors. theta energy: -218.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -2596.422460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2596.422460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2596.422460 (E_RNA)
where:
Base-Base interactions energy: -1754.403
where: short stacking energy: -770.483
Base-Backbone interact. energy: -1.554
local terms energy: -840.465594
where:
bonds (distance) C4'-P energy: -144.378
bonds (distance) P-C4' energy: -173.562
flat angles C4'-P-C4' energy: -199.261
flat angles P-C4'-P energy: -109.539
tors. eta vs tors. theta energy: -213.725
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: 5, replica: 3
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -2480.384442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2480.384442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2480.384442 (E_RNA)
where:
Base-Base interactions energy: -1696.523
where: short stacking energy: -677.654
Base-Backbone interact. energy: -4.239
local terms energy: -779.622001
where:
bonds (distance) C4'-P energy: -163.413
bonds (distance) P-C4' energy: -154.828
flat angles C4'-P-C4' energy: -170.625
flat angles P-C4'-P energy: -103.530
tors. eta vs tors. theta energy: -187.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -2262.470178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2262.470178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.470178 (E_RNA)
where:
Base-Base interactions energy: -1513.097
where: short stacking energy: -648.934
Base-Backbone interact. energy: 3.762
local terms energy: -753.135561
where:
bonds (distance) C4'-P energy: -143.261
bonds (distance) P-C4' energy: -145.265
flat angles C4'-P-C4' energy: -171.376
flat angles P-C4'-P energy: -111.386
tors. eta vs tors. theta energy: -181.847
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: 454
Temperature: 1.200000
Total energy: -2015.531007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2015.531007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.531007 (E_RNA)
where:
Base-Base interactions energy: -1306.998
where: short stacking energy: -586.838
Base-Backbone interact. energy: -0.916
local terms energy: -707.616904
where:
bonds (distance) C4'-P energy: -158.189
bonds (distance) P-C4' energy: -161.284
flat angles C4'-P-C4' energy: -167.434
flat angles P-C4'-P energy: -83.075
tors. eta vs tors. theta energy: -137.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -1230.213453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.213453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.213453 (E_RNA)
where:
Base-Base interactions energy: -675.606
where: short stacking energy: -348.027
Base-Backbone interact. energy: 4.310
local terms energy: -558.917823
where:
bonds (distance) C4'-P energy: -153.188
bonds (distance) P-C4' energy: -165.399
flat angles C4'-P-C4' energy: -147.473
flat angles P-C4'-P energy: -75.410
tors. eta vs tors. theta energy: -17.448
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: 454
Temperature: 1.300000
Total energy: -1077.318402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.318402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.318402 (E_RNA)
where:
Base-Base interactions energy: -571.739
where: short stacking energy: -283.155
Base-Backbone interact. energy: -2.571
local terms energy: -503.008689
where:
bonds (distance) C4'-P energy: -140.438
bonds (distance) P-C4' energy: -142.719
flat angles C4'-P-C4' energy: -125.411
flat angles P-C4'-P energy: -75.338
tors. eta vs tors. theta energy: -19.102
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: 4
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -823.633889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.633889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.633889 (E_RNA)
where:
Base-Base interactions energy: -330.657
where: short stacking energy: -205.756
Base-Backbone interact. energy: 4.265
local terms energy: -497.241764
where:
bonds (distance) C4'-P energy: -142.588
bonds (distance) P-C4' energy: -146.117
flat angles C4'-P-C4' energy: -128.924
flat angles P-C4'-P energy: -84.498
tors. eta vs tors. theta energy: 4.886
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: 1, replica: 7
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -3042.011997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3042.011997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3042.011997 (E_RNA)
where:
Base-Base interactions energy: -2076.816
where: short stacking energy: -937.987
Base-Backbone interact. energy: -0.349
local terms energy: -964.847044
where:
bonds (distance) C4'-P energy: -170.814
bonds (distance) P-C4' energy: -187.144
flat angles C4'-P-C4' energy: -199.128
flat angles P-C4'-P energy: -134.593
tors. eta vs tors. theta energy: -273.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -2903.325220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2903.325220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2903.325220 (E_RNA)
where:
Base-Base interactions energy: -2021.148
where: short stacking energy: -840.060
Base-Backbone interact. energy: -2.954
local terms energy: -879.222764
where:
bonds (distance) C4'-P energy: -162.699
bonds (distance) P-C4' energy: -165.222
flat angles C4'-P-C4' energy: -179.508
flat angles P-C4'-P energy: -131.296
tors. eta vs tors. theta energy: -240.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -2735.813446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2735.813446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2735.813446 (E_RNA)
where:
Base-Base interactions energy: -1886.100
where: short stacking energy: -770.895
Base-Backbone interact. energy: -0.582
local terms energy: -849.131880
where:
bonds (distance) C4'-P energy: -154.801
bonds (distance) P-C4' energy: -154.833
flat angles C4'-P-C4' energy: -200.452
flat angles P-C4'-P energy: -108.404
tors. eta vs tors. theta energy: -230.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -2648.465649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2648.465649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2648.465649 (E_RNA)
where:
Base-Base interactions energy: -1801.709
where: short stacking energy: -772.438
Base-Backbone interact. energy: -4.535
local terms energy: -842.221353
where:
bonds (distance) C4'-P energy: -151.573
bonds (distance) P-C4' energy: -167.636
flat angles C4'-P-C4' energy: -173.775
flat angles P-C4'-P energy: -117.782
tors. eta vs tors. theta energy: -231.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -2431.480899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2431.480899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2431.480899 (E_RNA)
where:
Base-Base interactions energy: -1656.754
where: short stacking energy: -662.560
Base-Backbone interact. energy: -1.028
local terms energy: -773.699106
where:
bonds (distance) C4'-P energy: -154.335
bonds (distance) P-C4' energy: -150.552
flat angles C4'-P-C4' energy: -177.506
flat angles P-C4'-P energy: -109.695
tors. eta vs tors. theta energy: -181.612
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: 9
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -2165.768465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.768465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.768465 (E_RNA)
where:
Base-Base interactions energy: -1426.363
where: short stacking energy: -634.683
Base-Backbone interact. energy: -2.423
local terms energy: -736.982086
where:
bonds (distance) C4'-P energy: -160.869
bonds (distance) P-C4' energy: -158.835
flat angles C4'-P-C4' energy: -165.494
flat angles P-C4'-P energy: -95.036
tors. eta vs tors. theta energy: -156.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -2108.506481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.506481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.506481 (E_RNA)
where:
Base-Base interactions energy: -1362.866
where: short stacking energy: -622.208
Base-Backbone interact. energy: 5.827
local terms energy: -751.467266
where:
bonds (distance) C4'-P energy: -146.423
bonds (distance) P-C4' energy: -151.727
flat angles C4'-P-C4' energy: -184.092
flat angles P-C4'-P energy: -113.695
tors. eta vs tors. theta energy: -155.530
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: 2
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -1207.405247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.405247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.405247 (E_RNA)
where:
Base-Base interactions energy: -634.660
where: short stacking energy: -332.446
Base-Backbone interact. energy: -1.833
local terms energy: -570.912298
where:
bonds (distance) C4'-P energy: -167.990
bonds (distance) P-C4' energy: -154.964
flat angles C4'-P-C4' energy: -125.381
flat angles P-C4'-P energy: -85.301
tors. eta vs tors. theta energy: -37.275
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: 8
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -1212.050837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.050837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.050837 (E_RNA)
where:
Base-Base interactions energy: -688.551
where: short stacking energy: -325.780
Base-Backbone interact. energy: 0.253
local terms energy: -523.753088
where:
bonds (distance) C4'-P energy: -132.901
bonds (distance) P-C4' energy: -138.169
flat angles C4'-P-C4' energy: -144.456
flat angles P-C4'-P energy: -71.101
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: 10, replica: 4
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -773.900567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.900567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.900567 (E_RNA)
where:
Base-Base interactions energy: -309.670
where: short stacking energy: -182.151
Base-Backbone interact. energy: -4.598
local terms energy: -459.632438
where:
bonds (distance) C4'-P energy: -129.618
bonds (distance) P-C4' energy: -160.212
flat angles C4'-P-C4' energy: -133.174
flat angles P-C4'-P energy: -64.516
tors. eta vs tors. theta energy: 27.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -3001.831671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3001.831671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3001.831671 (E_RNA)
where:
Base-Base interactions energy: -2032.849
where: short stacking energy: -873.729
Base-Backbone interact. energy: -3.206
local terms energy: -965.777288
where:
bonds (distance) C4'-P energy: -163.873
bonds (distance) P-C4' energy: -180.225
flat angles C4'-P-C4' energy: -209.888
flat angles P-C4'-P energy: -142.827
tors. eta vs tors. theta energy: -268.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -2927.098742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2927.098742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2927.098742 (E_RNA)
where:
Base-Base interactions energy: -1991.547
where: short stacking energy: -847.022
Base-Backbone interact. energy: -5.974
local terms energy: -929.577741
where:
bonds (distance) C4'-P energy: -177.649
bonds (distance) P-C4' energy: -178.640
flat angles C4'-P-C4' energy: -197.141
flat angles P-C4'-P energy: -114.391
tors. eta vs tors. theta energy: -261.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -2773.619850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2773.619850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2773.619850 (E_RNA)
where:
Base-Base interactions energy: -1880.425
where: short stacking energy: -814.454
Base-Backbone interact. energy: 0.569
local terms energy: -893.763631
where:
bonds (distance) C4'-P energy: -168.002
bonds (distance) P-C4' energy: -167.408
flat angles C4'-P-C4' energy: -187.460
flat angles P-C4'-P energy: -120.592
tors. eta vs tors. theta energy: -250.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -2620.984302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2620.984302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2620.984302 (E_RNA)
where:
Base-Base interactions energy: -1758.492
where: short stacking energy: -724.328
Base-Backbone interact. energy: -2.875
local terms energy: -859.617400
where:
bonds (distance) C4'-P energy: -160.271
bonds (distance) P-C4' energy: -173.167
flat angles C4'-P-C4' energy: -192.861
flat angles P-C4'-P energy: -127.256
tors. eta vs tors. theta energy: -206.062
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: 5, replica: 3
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -2455.606835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2455.606835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2455.606835 (E_RNA)
where:
Base-Base interactions energy: -1690.303
where: short stacking energy: -674.249
Base-Backbone interact. energy: -1.310
local terms energy: -763.993246
where:
bonds (distance) C4'-P energy: -141.951
bonds (distance) P-C4' energy: -165.462
flat angles C4'-P-C4' energy: -174.283
flat angles P-C4'-P energy: -104.424
tors. eta vs tors. theta energy: -177.873
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: 6, replica: 9
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -2206.969423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.969423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.969423 (E_RNA)
where:
Base-Base interactions energy: -1410.637
where: short stacking energy: -593.844
Base-Backbone interact. energy: -1.593
local terms energy: -794.739328
where:
bonds (distance) C4'-P energy: -172.810
bonds (distance) P-C4' energy: -159.876
flat angles C4'-P-C4' energy: -176.244
flat angles P-C4'-P energy: -119.309
tors. eta vs tors. theta energy: -166.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -2109.026720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.026720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.026720 (E_RNA)
where:
Base-Base interactions energy: -1379.135
where: short stacking energy: -618.443
Base-Backbone interact. energy: 2.012
local terms energy: -731.903465
where:
bonds (distance) C4'-P energy: -147.719
bonds (distance) P-C4' energy: -149.130
flat angles C4'-P-C4' energy: -156.414
flat angles P-C4'-P energy: -111.692
tors. eta vs tors. theta energy: -166.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -1222.217563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.217563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.217563 (E_RNA)
where:
Base-Base interactions energy: -697.676
where: short stacking energy: -350.611
Base-Backbone interact. energy: 0.297
local terms energy: -524.837971
where:
bonds (distance) C4'-P energy: -145.394
bonds (distance) P-C4' energy: -154.627
flat angles C4'-P-C4' energy: -121.197
flat angles P-C4'-P energy: -66.290
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: 9, replica: 8
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -1214.818238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.818238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.818238 (E_RNA)
where:
Base-Base interactions energy: -683.087
where: short stacking energy: -323.684
Base-Backbone interact. energy: -1.311
local terms energy: -530.420513
where:
bonds (distance) C4'-P energy: -127.970
bonds (distance) P-C4' energy: -151.957
flat angles C4'-P-C4' energy: -126.364
flat angles P-C4'-P energy: -91.848
tors. eta vs tors. theta energy: -32.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -763.973930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.973930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.973930 (E_RNA)
where:
Base-Base interactions energy: -327.157
where: short stacking energy: -216.366
Base-Backbone interact. energy: -5.761
local terms energy: -431.055803
where:
bonds (distance) C4'-P energy: -147.959
bonds (distance) P-C4' energy: -159.609
flat angles C4'-P-C4' energy: -106.068
flat angles P-C4'-P energy: -45.620
tors. eta vs tors. theta energy: 28.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -2997.035834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2997.035834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2997.035834 (E_RNA)
where:
Base-Base interactions energy: -2025.825
where: short stacking energy: -867.529
Base-Backbone interact. energy: 1.379
local terms energy: -972.589521
where:
bonds (distance) C4'-P energy: -170.675
bonds (distance) P-C4' energy: -188.118
flat angles C4'-P-C4' energy: -213.920
flat angles P-C4'-P energy: -134.529
tors. eta vs tors. theta energy: -265.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -2917.014416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2917.014416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2917.014416 (E_RNA)
where:
Base-Base interactions energy: -2008.159
where: short stacking energy: -852.399
Base-Backbone interact. energy: -5.553
local terms energy: -903.302340
where:
bonds (distance) C4'-P energy: -173.019
bonds (distance) P-C4' energy: -176.349
flat angles C4'-P-C4' energy: -183.484
flat angles P-C4'-P energy: -111.140
tors. eta vs tors. theta energy: -259.311
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: 1
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -2779.544303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2779.544303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2779.544303 (E_RNA)
where:
Base-Base interactions energy: -1904.175
where: short stacking energy: -802.523
Base-Backbone interact. energy: -3.539
local terms energy: -871.830173
where:
bonds (distance) C4'-P energy: -153.127
bonds (distance) P-C4' energy: -171.289
flat angles C4'-P-C4' energy: -198.566
flat angles P-C4'-P energy: -119.637
tors. eta vs tors. theta energy: -229.211
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: 6
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -2632.208215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2632.208215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2632.208215 (E_RNA)
where:
Base-Base interactions energy: -1795.076
where: short stacking energy: -726.970
Base-Backbone interact. energy: -2.179
local terms energy: -834.953904
where:
bonds (distance) C4'-P energy: -161.782
bonds (distance) P-C4' energy: -168.539
flat angles C4'-P-C4' energy: -193.573
flat angles P-C4'-P energy: -110.553
tors. eta vs tors. theta energy: -200.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -2459.999892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2459.999892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2459.999892 (E_RNA)
where:
Base-Base interactions energy: -1658.661
where: short stacking energy: -666.660
Base-Backbone interact. energy: -3.117
local terms energy: -798.222095
where:
bonds (distance) C4'-P energy: -156.453
bonds (distance) P-C4' energy: -165.016
flat angles C4'-P-C4' energy: -184.022
flat angles P-C4'-P energy: -109.651
tors. eta vs tors. theta energy: -183.081
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: 5
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -2236.115581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2236.115581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.115581 (E_RNA)
where:
Base-Base interactions energy: -1470.587
where: short stacking energy: -660.690
Base-Backbone interact. energy: -4.299
local terms energy: -761.229270
where:
bonds (distance) C4'-P energy: -157.354
bonds (distance) P-C4' energy: -127.418
flat angles C4'-P-C4' energy: -157.268
flat angles P-C4'-P energy: -120.789
tors. eta vs tors. theta energy: -198.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -2121.735950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.735950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.735950 (E_RNA)
where:
Base-Base interactions energy: -1347.021
where: short stacking energy: -607.473
Base-Backbone interact. energy: 5.618
local terms energy: -780.332962
where:
bonds (distance) C4'-P energy: -159.919
bonds (distance) P-C4' energy: -179.972
flat angles C4'-P-C4' energy: -177.764
flat angles P-C4'-P energy: -105.114
tors. eta vs tors. theta energy: -157.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -1301.398976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.398976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.398976 (E_RNA)
where:
Base-Base interactions energy: -726.566
where: short stacking energy: -373.460
Base-Backbone interact. energy: -0.721
local terms energy: -574.112204
where:
bonds (distance) C4'-P energy: -135.734
bonds (distance) P-C4' energy: -156.713
flat angles C4'-P-C4' energy: -141.606
flat angles P-C4'-P energy: -82.279
tors. eta vs tors. theta energy: -57.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -1121.742417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.742417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.742417 (E_RNA)
where:
Base-Base interactions energy: -637.113
where: short stacking energy: -323.773
Base-Backbone interact. energy: 2.222
local terms energy: -486.851964
where:
bonds (distance) C4'-P energy: -135.293
bonds (distance) P-C4' energy: -139.519
flat angles C4'-P-C4' energy: -128.230
flat angles P-C4'-P energy: -68.135
tors. eta vs tors. theta energy: -15.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -741.331094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.331094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.331094 (E_RNA)
where:
Base-Base interactions energy: -278.147
where: short stacking energy: -172.026
Base-Backbone interact. energy: -2.647
local terms energy: -460.537388
where:
bonds (distance) C4'-P energy: -123.543
bonds (distance) P-C4' energy: -139.846
flat angles C4'-P-C4' energy: -119.013
flat angles P-C4'-P energy: -95.752
tors. eta vs tors. theta energy: 17.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -3020.640723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3020.640723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3020.640723 (E_RNA)
where:
Base-Base interactions energy: -2073.458
where: short stacking energy: -872.550
Base-Backbone interact. energy: 0.156
local terms energy: -947.338348
where:
bonds (distance) C4'-P energy: -167.525
bonds (distance) P-C4' energy: -177.278
flat angles C4'-P-C4' energy: -204.039
flat angles P-C4'-P energy: -144.197
tors. eta vs tors. theta energy: -254.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -2899.225945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2899.225945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2899.225945 (E_RNA)
where:
Base-Base interactions energy: -1970.411
where: short stacking energy: -844.441
Base-Backbone interact. energy: -6.171
local terms energy: -922.644228
where:
bonds (distance) C4'-P energy: -162.251
bonds (distance) P-C4' energy: -173.855
flat angles C4'-P-C4' energy: -207.428
flat angles P-C4'-P energy: -118.588
tors. eta vs tors. theta energy: -260.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -2750.813735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2750.813735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2750.813735 (E_RNA)
where:
Base-Base interactions energy: -1879.927
where: short stacking energy: -790.910
Base-Backbone interact. energy: 1.892
local terms energy: -872.778207
where:
bonds (distance) C4'-P energy: -156.206
bonds (distance) P-C4' energy: -168.690
flat angles C4'-P-C4' energy: -186.928
flat angles P-C4'-P energy: -117.014
tors. eta vs tors. theta energy: -243.941
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: 4, replica: 6
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -2656.349568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2656.349568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2656.349568 (E_RNA)
where:
Base-Base interactions energy: -1845.543
where: short stacking energy: -747.075
Base-Backbone interact. energy: -1.614
local terms energy: -809.192592
where:
bonds (distance) C4'-P energy: -152.808
bonds (distance) P-C4' energy: -167.831
flat angles C4'-P-C4' energy: -177.417
flat angles P-C4'-P energy: -105.704
tors. eta vs tors. theta energy: -205.432
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: 458
Temperature: 1.100000
Total energy: -2438.748469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2438.748469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2438.748469 (E_RNA)
where:
Base-Base interactions energy: -1658.808
where: short stacking energy: -660.110
Base-Backbone interact. energy: -4.411
local terms energy: -775.529715
where:
bonds (distance) C4'-P energy: -152.143
bonds (distance) P-C4' energy: -160.014
flat angles C4'-P-C4' energy: -185.493
flat angles P-C4'-P energy: -102.363
tors. eta vs tors. theta energy: -175.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -2251.675797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2251.675797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.675797 (E_RNA)
where:
Base-Base interactions energy: -1481.591
where: short stacking energy: -657.915
Base-Backbone interact. energy: -1.218
local terms energy: -768.866655
where:
bonds (distance) C4'-P energy: -171.122
bonds (distance) P-C4' energy: -159.200
flat angles C4'-P-C4' energy: -157.363
flat angles P-C4'-P energy: -88.186
tors. eta vs tors. theta energy: -192.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -2152.457100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.457100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2152.457100 (E_RNA)
where:
Base-Base interactions energy: -1420.719
where: short stacking energy: -647.274
Base-Backbone interact. energy: -3.164
local terms energy: -728.573856
where:
bonds (distance) C4'-P energy: -140.101
bonds (distance) P-C4' energy: -150.119
flat angles C4'-P-C4' energy: -155.352
flat angles P-C4'-P energy: -104.709
tors. eta vs tors. theta energy: -178.294
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: 8, replica: 8
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -1276.234219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.234219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.234219 (E_RNA)
where:
Base-Base interactions energy: -692.305
where: short stacking energy: -350.739
Base-Backbone interact. energy: -1.380
local terms energy: -582.549703
where:
bonds (distance) C4'-P energy: -156.840
bonds (distance) P-C4' energy: -152.972
flat angles C4'-P-C4' energy: -147.479
flat angles P-C4'-P energy: -92.045
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: 9, replica: 2
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -1098.921155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.921155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.921155 (E_RNA)
where:
Base-Base interactions energy: -590.706
where: short stacking energy: -304.052
Base-Backbone interact. energy: -1.209
local terms energy: -507.006301
where:
bonds (distance) C4'-P energy: -143.388
bonds (distance) P-C4' energy: -147.945
flat angles C4'-P-C4' energy: -129.112
flat angles P-C4'-P energy: -69.160
tors. eta vs tors. theta energy: -17.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -780.052660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.052660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.052660 (E_RNA)
where:
Base-Base interactions energy: -309.185
where: short stacking energy: -196.230
Base-Backbone interact. energy: 2.965
local terms energy: -473.832788
where:
bonds (distance) C4'-P energy: -147.450
bonds (distance) P-C4' energy: -137.881
flat angles C4'-P-C4' energy: -136.511
flat angles P-C4'-P energy: -70.634
tors. eta vs tors. theta energy: 18.642
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: 7
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -3056.245233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3056.245233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3056.245233 (E_RNA)
where:
Base-Base interactions energy: -2125.526
where: short stacking energy: -892.395
Base-Backbone interact. energy: -2.071
local terms energy: -933.659879
where:
bonds (distance) C4'-P energy: -162.102
bonds (distance) P-C4' energy: -166.062
flat angles C4'-P-C4' energy: -203.168
flat angles P-C4'-P energy: -127.994
tors. eta vs tors. theta energy: -274.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 5.011 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -2888.795124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2888.795124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2888.795124 (E_RNA)
where:
Base-Base interactions energy: -1963.213
where: short stacking energy: -824.396
Base-Backbone interact. energy: -3.159
local terms energy: -922.422803
where:
bonds (distance) C4'-P energy: -180.554
bonds (distance) P-C4' energy: -184.535
flat angles C4'-P-C4' energy: -182.395
flat angles P-C4'-P energy: -121.327
tors. eta vs tors. theta energy: -253.612
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: 459
Temperature: 1.000000
Total energy: -2780.369601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2780.369601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2780.369601 (E_RNA)
where:
Base-Base interactions energy: -1881.651
where: short stacking energy: -803.367
Base-Backbone interact. energy: 0.787
local terms energy: -899.505044
where:
bonds (distance) C4'-P energy: -163.877
bonds (distance) P-C4' energy: -179.983
flat angles C4'-P-C4' energy: -184.886
flat angles P-C4'-P energy: -127.385
tors. eta vs tors. theta energy: -243.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -2649.994303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2649.994303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2649.994303 (E_RNA)
where:
Base-Base interactions energy: -1801.767
where: short stacking energy: -723.595
Base-Backbone interact. energy: -4.513
local terms energy: -843.714526
where:
bonds (distance) C4'-P energy: -167.465
bonds (distance) P-C4' energy: -164.915
flat angles C4'-P-C4' energy: -191.416
flat angles P-C4'-P energy: -112.563
tors. eta vs tors. theta energy: -207.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -2448.476028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2448.476028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2448.476028 (E_RNA)
where:
Base-Base interactions energy: -1693.974
where: short stacking energy: -721.032
Base-Backbone interact. energy: 1.482
local terms energy: -755.983681
where:
bonds (distance) C4'-P energy: -150.055
bonds (distance) P-C4' energy: -141.931
flat angles C4'-P-C4' energy: -177.907
flat angles P-C4'-P energy: -95.727
tors. eta vs tors. theta energy: -190.363
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: 5
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -2296.801796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.801796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.801796 (E_RNA)
where:
Base-Base interactions energy: -1551.452
where: short stacking energy: -690.791
Base-Backbone interact. energy: -1.697
local terms energy: -743.652298
where:
bonds (distance) C4'-P energy: -141.836
bonds (distance) P-C4' energy: -153.229
flat angles C4'-P-C4' energy: -153.521
flat angles P-C4'-P energy: -101.607
tors. eta vs tors. theta energy: -193.459
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: 7, replica: 9
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -2024.562852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.562852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.562852 (E_RNA)
where:
Base-Base interactions energy: -1326.278
where: short stacking energy: -604.532
Base-Backbone interact. energy: 2.980
local terms energy: -701.265589
where:
bonds (distance) C4'-P energy: -136.692
bonds (distance) P-C4' energy: -154.038
flat angles C4'-P-C4' energy: -146.098
flat angles P-C4'-P energy: -124.430
tors. eta vs tors. theta energy: -140.008
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: 8
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -1256.870681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.870681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.870681 (E_RNA)
where:
Base-Base interactions energy: -701.626
where: short stacking energy: -337.037
Base-Backbone interact. energy: 9.141
local terms energy: -564.385595
where:
bonds (distance) C4'-P energy: -148.033
bonds (distance) P-C4' energy: -154.354
flat angles C4'-P-C4' energy: -136.202
flat angles P-C4'-P energy: -88.267
tors. eta vs tors. theta energy: -37.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -1004.216353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.216353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.216353 (E_RNA)
where:
Base-Base interactions energy: -489.309
where: short stacking energy: -267.979
Base-Backbone interact. energy: 4.849
local terms energy: -519.756106
where:
bonds (distance) C4'-P energy: -131.873
bonds (distance) P-C4' energy: -157.532
flat angles C4'-P-C4' energy: -134.445
flat angles P-C4'-P energy: -84.432
tors. eta vs tors. theta energy: -11.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -790.182678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.182678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.182678 (E_RNA)
where:
Base-Base interactions energy: -369.693
where: short stacking energy: -241.829
Base-Backbone interact. energy: 0.448
local terms energy: -420.937606
where:
bonds (distance) C4'-P energy: -145.126
bonds (distance) P-C4' energy: -132.420
flat angles C4'-P-C4' energy: -102.574
flat angles P-C4'-P energy: -58.823
tors. eta vs tors. theta energy: 18.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -3020.817527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3020.817527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3020.817527 (E_RNA)
where:
Base-Base interactions energy: -2068.938
where: short stacking energy: -867.606
Base-Backbone interact. energy: -0.030
local terms energy: -951.849242
where:
bonds (distance) C4'-P energy: -178.131
bonds (distance) P-C4' energy: -169.935
flat angles C4'-P-C4' energy: -199.371
flat angles P-C4'-P energy: -138.671
tors. eta vs tors. theta energy: -265.742
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: 2, replica: 10
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -2911.775238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2911.775238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2911.775238 (E_RNA)
where:
Base-Base interactions energy: -2009.801
where: short stacking energy: -840.257
Base-Backbone interact. energy: -3.276
local terms energy: -898.697514
where:
bonds (distance) C4'-P energy: -168.221
bonds (distance) P-C4' energy: -161.749
flat angles C4'-P-C4' energy: -195.072
flat angles P-C4'-P energy: -114.200
tors. eta vs tors. theta energy: -259.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -2800.816370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2800.816370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2800.816370 (E_RNA)
where:
Base-Base interactions energy: -1915.824
where: short stacking energy: -795.913
Base-Backbone interact. energy: -5.775
local terms energy: -879.217844
where:
bonds (distance) C4'-P energy: -163.238
bonds (distance) P-C4' energy: -159.663
flat angles C4'-P-C4' energy: -195.083
flat angles P-C4'-P energy: -119.017
tors. eta vs tors. theta energy: -242.218
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: 6
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -2669.638579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2669.638579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2669.638579 (E_RNA)
where:
Base-Base interactions energy: -1839.613
where: short stacking energy: -750.048
Base-Backbone interact. energy: -0.601
local terms energy: -829.424549
where:
bonds (distance) C4'-P energy: -155.042
bonds (distance) P-C4' energy: -165.414
flat angles C4'-P-C4' energy: -187.611
flat angles P-C4'-P energy: -103.373
tors. eta vs tors. theta energy: -217.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -2432.018258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2432.018258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2432.018258 (E_RNA)
where:
Base-Base interactions energy: -1645.763
where: short stacking energy: -740.815
Base-Backbone interact. energy: -1.943
local terms energy: -784.311965
where:
bonds (distance) C4'-P energy: -137.240
bonds (distance) P-C4' energy: -163.050
flat angles C4'-P-C4' energy: -173.293
flat angles P-C4'-P energy: -93.160
tors. eta vs tors. theta energy: -217.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -2323.867851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2323.867851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2323.867851 (E_RNA)
where:
Base-Base interactions energy: -1581.655
where: short stacking energy: -653.802
Base-Backbone interact. energy: 4.762
local terms energy: -746.974651
where:
bonds (distance) C4'-P energy: -143.568
bonds (distance) P-C4' energy: -162.419
flat angles C4'-P-C4' energy: -163.915
flat angles P-C4'-P energy: -101.025
tors. eta vs tors. theta energy: -176.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -2029.524340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.524340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.524340 (E_RNA)
where:
Base-Base interactions energy: -1323.734
where: short stacking energy: -578.287
Base-Backbone interact. energy: -2.086
local terms energy: -703.704302
where:
bonds (distance) C4'-P energy: -137.029
bonds (distance) P-C4' energy: -154.188
flat angles C4'-P-C4' energy: -163.439
flat angles P-C4'-P energy: -104.395
tors. eta vs tors. theta energy: -144.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -1195.846464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.846464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.846464 (E_RNA)
where:
Base-Base interactions energy: -649.080
where: short stacking energy: -335.530
Base-Backbone interact. energy: 7.527
local terms energy: -554.839489
where:
bonds (distance) C4'-P energy: -127.490
bonds (distance) P-C4' energy: -160.068
flat angles C4'-P-C4' energy: -148.915
flat angles P-C4'-P energy: -78.717
tors. eta vs tors. theta energy: -39.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.546 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -1054.260831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.260831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.260831 (E_RNA)
where:
Base-Base interactions energy: -542.903
where: short stacking energy: -305.877
Base-Backbone interact. energy: -3.879
local terms energy: -507.478046
where:
bonds (distance) C4'-P energy: -150.339
bonds (distance) P-C4' energy: -148.760
flat angles C4'-P-C4' energy: -147.196
flat angles P-C4'-P energy: -54.164
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: 10, replica: 4
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -883.114306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.114306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.114306 (E_RNA)
where:
Base-Base interactions energy: -418.708
where: short stacking energy: -252.643
Base-Backbone interact. energy: 1.987
local terms energy: -466.393402
where:
bonds (distance) C4'-P energy: -133.650
bonds (distance) P-C4' energy: -164.640
flat angles C4'-P-C4' energy: -104.215
flat angles P-C4'-P energy: -62.129
tors. eta vs tors. theta energy: -1.759
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: 1, replica: 7
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -3015.735962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3015.735962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3015.735962 (E_RNA)
where:
Base-Base interactions energy: -2070.530
where: short stacking energy: -859.027
Base-Backbone interact. energy: -1.904
local terms energy: -943.742916
where:
bonds (distance) C4'-P energy: -166.340
bonds (distance) P-C4' energy: -182.700
flat angles C4'-P-C4' energy: -210.993
flat angles P-C4'-P energy: -129.246
tors. eta vs tors. theta energy: -254.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.441 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -2912.429509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2912.429509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2912.429509 (E_RNA)
where:
Base-Base interactions energy: -1992.684
where: short stacking energy: -828.660
Base-Backbone interact. energy: -3.521
local terms energy: -916.223948
where:
bonds (distance) C4'-P energy: -170.807
bonds (distance) P-C4' energy: -175.569
flat angles C4'-P-C4' energy: -198.893
flat angles P-C4'-P energy: -126.976
tors. eta vs tors. theta energy: -243.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -2776.044859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2776.044859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2776.044859 (E_RNA)
where:
Base-Base interactions energy: -1887.078
where: short stacking energy: -774.244
Base-Backbone interact. energy: -5.740
local terms energy: -883.226917
where:
bonds (distance) C4'-P energy: -164.857
bonds (distance) P-C4' energy: -167.600
flat angles C4'-P-C4' energy: -185.365
flat angles P-C4'-P energy: -123.313
tors. eta vs tors. theta energy: -242.093
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: 4, replica: 6
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -2634.413682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2634.413682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2634.413682 (E_RNA)
where:
Base-Base interactions energy: -1777.024
where: short stacking energy: -714.557
Base-Backbone interact. energy: -3.099
local terms energy: -854.290376
where:
bonds (distance) C4'-P energy: -173.127
bonds (distance) P-C4' energy: -158.984
flat angles C4'-P-C4' energy: -182.935
flat angles P-C4'-P energy: -119.613
tors. eta vs tors. theta energy: -219.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -2460.212053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2460.212053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2460.212053 (E_RNA)
where:
Base-Base interactions energy: -1659.391
where: short stacking energy: -713.733
Base-Backbone interact. energy: -2.683
local terms energy: -798.138096
where:
bonds (distance) C4'-P energy: -159.407
bonds (distance) P-C4' energy: -139.674
flat angles C4'-P-C4' energy: -177.628
flat angles P-C4'-P energy: -122.260
tors. eta vs tors. theta energy: -199.168
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: 3
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -2215.267017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2215.267017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2215.267017 (E_RNA)
where:
Base-Base interactions energy: -1502.168
where: short stacking energy: -607.013
Base-Backbone interact. energy: -0.413
local terms energy: -712.686355
where:
bonds (distance) C4'-P energy: -149.041
bonds (distance) P-C4' energy: -151.390
flat angles C4'-P-C4' energy: -148.269
flat angles P-C4'-P energy: -100.407
tors. eta vs tors. theta energy: -163.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -1907.749118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.749118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.749118 (E_RNA)
where:
Base-Base interactions energy: -1226.819
where: short stacking energy: -541.383
Base-Backbone interact. energy: 1.398
local terms energy: -682.327578
where:
bonds (distance) C4'-P energy: -149.191
bonds (distance) P-C4' energy: -144.898
flat angles C4'-P-C4' energy: -156.295
flat angles P-C4'-P energy: -102.179
tors. eta vs tors. theta energy: -129.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -1216.778811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.778811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.778811 (E_RNA)
where:
Base-Base interactions energy: -655.407
where: short stacking energy: -348.090
Base-Backbone interact. energy: -1.895
local terms energy: -559.476978
where:
bonds (distance) C4'-P energy: -137.069
bonds (distance) P-C4' energy: -151.906
flat angles C4'-P-C4' energy: -140.282
flat angles P-C4'-P energy: -75.978
tors. eta vs tors. theta energy: -54.242
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: 9, replica: 2
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -1057.028002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.028002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.028002 (E_RNA)
where:
Base-Base interactions energy: -545.786
where: short stacking energy: -288.054
Base-Backbone interact. energy: -0.478
local terms energy: -510.764729
where:
bonds (distance) C4'-P energy: -138.516
bonds (distance) P-C4' energy: -150.220
flat angles C4'-P-C4' energy: -141.766
flat angles P-C4'-P energy: -67.076
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: 4
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -864.273279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.273279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.273279 (E_RNA)
where:
Base-Base interactions energy: -398.166
where: short stacking energy: -232.215
Base-Backbone interact. energy: 2.139
local terms energy: -468.246522
where:
bonds (distance) C4'-P energy: -144.119
bonds (distance) P-C4' energy: -139.297
flat angles C4'-P-C4' energy: -119.755
flat angles P-C4'-P energy: -74.809
tors. eta vs tors. theta energy: 9.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -3038.152606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3038.152606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3038.152606 (E_RNA)
where:
Base-Base interactions energy: -2071.124
where: short stacking energy: -861.762
Base-Backbone interact. energy: 0.426
local terms energy: -967.930619
where:
bonds (distance) C4'-P energy: -177.467
bonds (distance) P-C4' energy: -190.095
flat angles C4'-P-C4' energy: -204.331
flat angles P-C4'-P energy: -134.971
tors. eta vs tors. theta energy: -261.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.476 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -2924.308315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2924.308315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2924.308315 (E_RNA)
where:
Base-Base interactions energy: -1994.721
where: short stacking energy: -836.986
Base-Backbone interact. energy: 0.985
local terms energy: -930.572204
where:
bonds (distance) C4'-P energy: -157.277
bonds (distance) P-C4' energy: -186.053
flat angles C4'-P-C4' energy: -217.460
flat angles P-C4'-P energy: -116.011
tors. eta vs tors. theta energy: -253.772
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: 6
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -2807.701796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2807.701796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2807.701796 (E_RNA)
where:
Base-Base interactions energy: -1918.852
where: short stacking energy: -839.078
Base-Backbone interact. energy: 3.085
local terms energy: -891.934760
where:
bonds (distance) C4'-P energy: -164.780
bonds (distance) P-C4' energy: -173.068
flat angles C4'-P-C4' energy: -189.467
flat angles P-C4'-P energy: -129.132
tors. eta vs tors. theta energy: -235.488
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: 1
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -2720.261571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2720.261571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2720.261571 (E_RNA)
where:
Base-Base interactions energy: -1844.050
where: short stacking energy: -797.210
Base-Backbone interact. energy: -2.946
local terms energy: -873.265427
where:
bonds (distance) C4'-P energy: -150.351
bonds (distance) P-C4' energy: -169.059
flat angles C4'-P-C4' energy: -190.716
flat angles P-C4'-P energy: -117.639
tors. eta vs tors. theta energy: -245.500
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: 5
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -2499.103033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2499.103033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2499.103033 (E_RNA)
where:
Base-Base interactions energy: -1665.035
where: short stacking energy: -724.802
Base-Backbone interact. energy: -1.440
local terms energy: -832.628729
where:
bonds (distance) C4'-P energy: -164.195
bonds (distance) P-C4' energy: -159.636
flat angles C4'-P-C4' energy: -183.510
flat angles P-C4'-P energy: -110.630
tors. eta vs tors. theta energy: -214.657
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: 3
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -2223.570763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2223.570763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2223.570763 (E_RNA)
where:
Base-Base interactions energy: -1485.605
where: short stacking energy: -634.700
Base-Backbone interact. energy: 0.287
local terms energy: -738.253273
where:
bonds (distance) C4'-P energy: -142.221
bonds (distance) P-C4' energy: -168.225
flat angles C4'-P-C4' energy: -167.710
flat angles P-C4'-P energy: -103.983
tors. eta vs tors. theta energy: -156.114
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: 9
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -1926.416038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.416038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.416038 (E_RNA)
where:
Base-Base interactions energy: -1236.449
where: short stacking energy: -558.031
Base-Backbone interact. energy: -0.104
local terms energy: -689.863184
where:
bonds (distance) C4'-P energy: -143.025
bonds (distance) P-C4' energy: -146.630
flat angles C4'-P-C4' energy: -158.217
flat angles P-C4'-P energy: -95.917
tors. eta vs tors. theta energy: -146.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -1121.877592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.877592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.877592 (E_RNA)
where:
Base-Base interactions energy: -551.802
where: short stacking energy: -291.134
Base-Backbone interact. energy: 0.623
local terms energy: -570.697800
where:
bonds (distance) C4'-P energy: -157.767
bonds (distance) P-C4' energy: -173.571
flat angles C4'-P-C4' energy: -131.240
flat angles P-C4'-P energy: -67.864
tors. eta vs tors. theta energy: -40.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -1055.533682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.533682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.533682 (E_RNA)
where:
Base-Base interactions energy: -526.714
where: short stacking energy: -305.319
Base-Backbone interact. energy: 0.494
local terms energy: -529.313522
where:
bonds (distance) C4'-P energy: -124.556
bonds (distance) P-C4' energy: -160.010
flat angles C4'-P-C4' energy: -134.131
flat angles P-C4'-P energy: -94.611
tors. eta vs tors. theta energy: -16.005
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: 4
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -886.442242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.442242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.442242 (E_RNA)
where:
Base-Base interactions energy: -431.827
where: short stacking energy: -229.132
Base-Backbone interact. energy: -3.050
local terms energy: -451.565461
where:
bonds (distance) C4'-P energy: -127.890
bonds (distance) P-C4' energy: -139.263
flat angles C4'-P-C4' energy: -129.114
flat angles P-C4'-P energy: -77.193
tors. eta vs tors. theta energy: 21.894
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: 1, replica: 7
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -3011.977208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3011.977208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3011.977208 (E_RNA)
where:
Base-Base interactions energy: -2038.226
where: short stacking energy: -851.234
Base-Backbone interact. energy: -1.192
local terms energy: -972.932651
where:
bonds (distance) C4'-P energy: -180.480
bonds (distance) P-C4' energy: -173.982
flat angles C4'-P-C4' energy: -218.967
flat angles P-C4'-P energy: -133.818
tors. eta vs tors. theta energy: -265.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.374 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -2930.229959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2930.229959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2930.229959 (E_RNA)
where:
Base-Base interactions energy: -2016.755
where: short stacking energy: -867.060
Base-Backbone interact. energy: -0.647
local terms energy: -912.828806
where:
bonds (distance) C4'-P energy: -171.445
bonds (distance) P-C4' energy: -174.667
flat angles C4'-P-C4' energy: -185.844
flat angles P-C4'-P energy: -114.518
tors. eta vs tors. theta energy: -266.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -2778.320195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2778.320195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2778.320195 (E_RNA)
where:
Base-Base interactions energy: -1910.378
where: short stacking energy: -836.677
Base-Backbone interact. energy: -0.333
local terms energy: -867.608407
where:
bonds (distance) C4'-P energy: -167.248
bonds (distance) P-C4' energy: -166.354
flat angles C4'-P-C4' energy: -189.208
flat angles P-C4'-P energy: -94.724
tors. eta vs tors. theta energy: -250.074
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: 463
Temperature: 1.050000
Total energy: -2682.658157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2682.658157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2682.658157 (E_RNA)
where:
Base-Base interactions energy: -1829.387
where: short stacking energy: -765.083
Base-Backbone interact. energy: -3.291
local terms energy: -849.980063
where:
bonds (distance) C4'-P energy: -143.177
bonds (distance) P-C4' energy: -174.308
flat angles C4'-P-C4' energy: -173.977
flat angles P-C4'-P energy: -131.579
tors. eta vs tors. theta energy: -226.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -2521.265253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2521.265253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2521.265253 (E_RNA)
where:
Base-Base interactions energy: -1705.357
where: short stacking energy: -736.615
Base-Backbone interact. energy: -2.233
local terms energy: -813.675324
where:
bonds (distance) C4'-P energy: -161.844
bonds (distance) P-C4' energy: -166.806
flat angles C4'-P-C4' energy: -166.356
flat angles P-C4'-P energy: -96.131
tors. eta vs tors. theta energy: -222.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -2233.407848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2233.407848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2233.407848 (E_RNA)
where:
Base-Base interactions energy: -1512.380
where: short stacking energy: -635.763
Base-Backbone interact. energy: -0.368
local terms energy: -720.659169
where:
bonds (distance) C4'-P energy: -137.878
bonds (distance) P-C4' energy: -150.861
flat angles C4'-P-C4' energy: -162.231
flat angles P-C4'-P energy: -104.621
tors. eta vs tors. theta energy: -165.069
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: 9
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -1908.801380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.801380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.801380 (E_RNA)
where:
Base-Base interactions energy: -1248.131
where: short stacking energy: -555.812
Base-Backbone interact. energy: 10.018
local terms energy: -670.689019
where:
bonds (distance) C4'-P energy: -144.515
bonds (distance) P-C4' energy: -117.580
flat angles C4'-P-C4' energy: -160.808
flat angles P-C4'-P energy: -123.136
tors. eta vs tors. theta energy: -124.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -1173.821321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.821321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.821321 (E_RNA)
where:
Base-Base interactions energy: -612.631
where: short stacking energy: -328.540
Base-Backbone interact. energy: 1.778
local terms energy: -562.968775
where:
bonds (distance) C4'-P energy: -142.110
bonds (distance) P-C4' energy: -156.799
flat angles C4'-P-C4' energy: -160.299
flat angles P-C4'-P energy: -69.680
tors. eta vs tors. theta energy: -34.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -1044.544971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.544971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.544971 (E_RNA)
where:
Base-Base interactions energy: -526.109
where: short stacking energy: -317.839
Base-Backbone interact. energy: 2.957
local terms energy: -521.392810
where:
bonds (distance) C4'-P energy: -148.526
bonds (distance) P-C4' energy: -178.575
flat angles C4'-P-C4' energy: -114.012
flat angles P-C4'-P energy: -67.992
tors. eta vs tors. theta energy: -12.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -895.964006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.964006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.964006 (E_RNA)
where:
Base-Base interactions energy: -458.232
where: short stacking energy: -248.165
Base-Backbone interact. energy: 0.768
local terms energy: -438.500279
where:
bonds (distance) C4'-P energy: -134.331
bonds (distance) P-C4' energy: -140.450
flat angles C4'-P-C4' energy: -111.926
flat angles P-C4'-P energy: -72.833
tors. eta vs tors. theta energy: 21.040
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: 1, replica: 7
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -3038.397705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3038.397705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3038.397705 (E_RNA)
where:
Base-Base interactions energy: -2077.841
where: short stacking energy: -864.435
Base-Backbone interact. energy: -1.760
local terms energy: -958.797383
where:
bonds (distance) C4'-P energy: -170.726
bonds (distance) P-C4' energy: -183.134
flat angles C4'-P-C4' energy: -203.106
flat angles P-C4'-P energy: -150.555
tors. eta vs tors. theta energy: -251.276
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: 2, replica: 10
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -2891.319137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2891.319137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2891.319137 (E_RNA)
where:
Base-Base interactions energy: -1968.114
where: short stacking energy: -826.283
Base-Backbone interact. energy: -5.363
local terms energy: -917.841870
where:
bonds (distance) C4'-P energy: -185.021
bonds (distance) P-C4' energy: -177.058
flat angles C4'-P-C4' energy: -186.017
flat angles P-C4'-P energy: -115.543
tors. eta vs tors. theta energy: -254.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -2813.974519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2813.974519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2813.974519 (E_RNA)
where:
Base-Base interactions energy: -1924.164
where: short stacking energy: -803.722
Base-Backbone interact. energy: -3.591
local terms energy: -886.219437
where:
bonds (distance) C4'-P energy: -179.104
bonds (distance) P-C4' energy: -173.116
flat angles C4'-P-C4' energy: -183.384
flat angles P-C4'-P energy: -115.864
tors. eta vs tors. theta energy: -234.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -2742.513686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2742.513686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2742.513686 (E_RNA)
where:
Base-Base interactions energy: -1850.116
where: short stacking energy: -786.274
Base-Backbone interact. energy: -1.012
local terms energy: -891.385392
where:
bonds (distance) C4'-P energy: -157.531
bonds (distance) P-C4' energy: -161.053
flat angles C4'-P-C4' energy: -197.413
flat angles P-C4'-P energy: -127.621
tors. eta vs tors. theta energy: -247.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -2581.343278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2581.343278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2581.343278 (E_RNA)
where:
Base-Base interactions energy: -1712.420
where: short stacking energy: -759.788
Base-Backbone interact. energy: -2.636
local terms energy: -866.286910
where:
bonds (distance) C4'-P energy: -181.096
bonds (distance) P-C4' energy: -148.774
flat angles C4'-P-C4' energy: -197.555
flat angles P-C4'-P energy: -105.161
tors. eta vs tors. theta energy: -233.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -2252.411136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.411136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2252.411136 (E_RNA)
where:
Base-Base interactions energy: -1504.549
where: short stacking energy: -629.023
Base-Backbone interact. energy: 2.672
local terms energy: -750.534310
where:
bonds (distance) C4'-P energy: -152.338
bonds (distance) P-C4' energy: -139.903
flat angles C4'-P-C4' energy: -166.166
flat angles P-C4'-P energy: -128.249
tors. eta vs tors. theta energy: -163.879
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: 9
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -2027.027695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.027695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.027695 (E_RNA)
where:
Base-Base interactions energy: -1331.018
where: short stacking energy: -599.249
Base-Backbone interact. energy: 0.985
local terms energy: -696.994425
where:
bonds (distance) C4'-P energy: -135.754
bonds (distance) P-C4' energy: -171.318
flat angles C4'-P-C4' energy: -138.074
flat angles P-C4'-P energy: -87.274
tors. eta vs tors. theta energy: -164.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -1150.821777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.821777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.821777 (E_RNA)
where:
Base-Base interactions energy: -610.144
where: short stacking energy: -322.080
Base-Backbone interact. energy: -0.154
local terms energy: -540.523302
where:
bonds (distance) C4'-P energy: -140.847
bonds (distance) P-C4' energy: -176.579
flat angles C4'-P-C4' energy: -125.465
flat angles P-C4'-P energy: -79.734
tors. eta vs tors. theta energy: -17.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -1017.656397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.656397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.656397 (E_RNA)
where:
Base-Base interactions energy: -555.267
where: short stacking energy: -278.777
Base-Backbone interact. energy: -0.181
local terms energy: -462.207777
where:
bonds (distance) C4'-P energy: -121.042
bonds (distance) P-C4' energy: -144.970
flat angles C4'-P-C4' energy: -132.241
flat angles P-C4'-P energy: -68.723
tors. eta vs tors. theta energy: 4.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -836.236787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.236787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.236787 (E_RNA)
where:
Base-Base interactions energy: -374.929
where: short stacking energy: -225.690
Base-Backbone interact. energy: 2.675
local terms energy: -463.982992
where:
bonds (distance) C4'-P energy: -119.597
bonds (distance) P-C4' energy: -151.782
flat angles C4'-P-C4' energy: -132.973
flat angles P-C4'-P energy: -66.899
tors. eta vs tors. theta energy: 7.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -3030.684077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3030.684077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3030.684077 (E_RNA)
where:
Base-Base interactions energy: -2103.473
where: short stacking energy: -862.127
Base-Backbone interact. energy: -0.800
local terms energy: -926.411993
where:
bonds (distance) C4'-P energy: -161.868
bonds (distance) P-C4' energy: -179.926
flat angles C4'-P-C4' energy: -201.293
flat angles P-C4'-P energy: -129.005
tors. eta vs tors. theta energy: -254.319
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: 2, replica: 10
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -2954.722756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2954.722756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2954.722756 (E_RNA)
where:
Base-Base interactions energy: -1992.363
where: short stacking energy: -822.414
Base-Backbone interact. energy: -6.527
local terms energy: -955.832958
where:
bonds (distance) C4'-P energy: -170.139
bonds (distance) P-C4' energy: -180.679
flat angles C4'-P-C4' energy: -204.278
flat angles P-C4'-P energy: -138.464
tors. eta vs tors. theta energy: -262.273
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: 3, replica: 6
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -2782.046118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2782.046118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2782.046118 (E_RNA)
where:
Base-Base interactions energy: -1898.802
where: short stacking energy: -821.210
Base-Backbone interact. energy: 2.147
local terms energy: -885.391752
where:
bonds (distance) C4'-P energy: -173.248
bonds (distance) P-C4' energy: -160.927
flat angles C4'-P-C4' energy: -197.396
flat angles P-C4'-P energy: -111.564
tors. eta vs tors. theta energy: -242.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -2703.689543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2703.689543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2703.689543 (E_RNA)
where:
Base-Base interactions energy: -1795.269
where: short stacking energy: -785.089
Base-Backbone interact. energy: -0.504
local terms energy: -907.915717
where:
bonds (distance) C4'-P energy: -168.156
bonds (distance) P-C4' energy: -169.714
flat angles C4'-P-C4' energy: -199.099
flat angles P-C4'-P energy: -123.561
tors. eta vs tors. theta energy: -247.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -2501.320629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2501.320629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2501.320629 (E_RNA)
where:
Base-Base interactions energy: -1699.315
where: short stacking energy: -739.981
Base-Backbone interact. energy: -4.612
local terms energy: -797.393375
where:
bonds (distance) C4'-P energy: -150.362
bonds (distance) P-C4' energy: -151.151
flat angles C4'-P-C4' energy: -168.460
flat angles P-C4'-P energy: -116.962
tors. eta vs tors. theta energy: -210.458
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: 6, replica: 3
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -2254.741264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2254.741264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2254.741264 (E_RNA)
where:
Base-Base interactions energy: -1514.850
where: short stacking energy: -608.240
Base-Backbone interact. energy: -6.117
local terms energy: -733.774236
where:
bonds (distance) C4'-P energy: -161.902
bonds (distance) P-C4' energy: -151.017
flat angles C4'-P-C4' energy: -165.239
flat angles P-C4'-P energy: -107.784
tors. eta vs tors. theta energy: -147.833
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: 9
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -1998.054042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.054042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.054042 (E_RNA)
where:
Base-Base interactions energy: -1281.224
where: short stacking energy: -561.042
Base-Backbone interact. energy: 2.451
local terms energy: -719.280487
where:
bonds (distance) C4'-P energy: -155.306
bonds (distance) P-C4' energy: -159.529
flat angles C4'-P-C4' energy: -165.000
flat angles P-C4'-P energy: -89.443
tors. eta vs tors. theta energy: -150.002
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: 8, replica: 8
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -1208.419567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.419567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.419567 (E_RNA)
where:
Base-Base interactions energy: -666.439
where: short stacking energy: -353.435
Base-Backbone interact. energy: 0.353
local terms energy: -542.333990
where:
bonds (distance) C4'-P energy: -140.339
bonds (distance) P-C4' energy: -143.443
flat angles C4'-P-C4' energy: -144.294
flat angles P-C4'-P energy: -80.829
tors. eta vs tors. theta energy: -33.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -1068.501056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.501056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.501056 (E_RNA)
where:
Base-Base interactions energy: -524.209
where: short stacking energy: -263.086
Base-Backbone interact. energy: -4.109
local terms energy: -540.182820
where:
bonds (distance) C4'-P energy: -152.167
bonds (distance) P-C4' energy: -158.114
flat angles C4'-P-C4' energy: -129.946
flat angles P-C4'-P energy: -91.811
tors. eta vs tors. theta energy: -8.145
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: 4
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -828.203566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.203566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.203566 (E_RNA)
where:
Base-Base interactions energy: -416.616
where: short stacking energy: -219.630
Base-Backbone interact. energy: 4.070
local terms energy: -415.657576
where:
bonds (distance) C4'-P energy: -139.648
bonds (distance) P-C4' energy: -147.267
flat angles C4'-P-C4' energy: -109.078
flat angles P-C4'-P energy: -58.297
tors. eta vs tors. theta energy: 38.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -3049.517935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3049.517935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3049.517935 (E_RNA)
where:
Base-Base interactions energy: -2060.405
where: short stacking energy: -858.834
Base-Backbone interact. energy: -5.559
local terms energy: -983.553264
where:
bonds (distance) C4'-P energy: -198.210
bonds (distance) P-C4' energy: -199.341
flat angles C4'-P-C4' energy: -211.392
flat angles P-C4'-P energy: -116.049
tors. eta vs tors. theta energy: -258.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -2920.811529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2920.811529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2920.811529 (E_RNA)
where:
Base-Base interactions energy: -1989.717
where: short stacking energy: -840.501
Base-Backbone interact. energy: -4.481
local terms energy: -926.613577
where:
bonds (distance) C4'-P energy: -153.195
bonds (distance) P-C4' energy: -180.243
flat angles C4'-P-C4' energy: -198.147
flat angles P-C4'-P energy: -135.430
tors. eta vs tors. theta energy: -259.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -2764.321328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2764.321328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2764.321328 (E_RNA)
where:
Base-Base interactions energy: -1850.103
where: short stacking energy: -798.480
Base-Backbone interact. energy: -2.734
local terms energy: -911.484966
where:
bonds (distance) C4'-P energy: -168.540
bonds (distance) P-C4' energy: -178.088
flat angles C4'-P-C4' energy: -184.395
flat angles P-C4'-P energy: -136.852
tors. eta vs tors. theta energy: -243.611
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: 1
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -2691.492092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2691.492092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2691.492092 (E_RNA)
where:
Base-Base interactions energy: -1822.191
where: short stacking energy: -745.313
Base-Backbone interact. energy: 0.600
local terms energy: -869.900886
where:
bonds (distance) C4'-P energy: -168.439
bonds (distance) P-C4' energy: -166.640
flat angles C4'-P-C4' energy: -186.971
flat angles P-C4'-P energy: -116.910
tors. eta vs tors. theta energy: -230.941
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: 466
Temperature: 1.100000
Total energy: -2573.899238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2573.899238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2573.899238 (E_RNA)
where:
Base-Base interactions energy: -1725.293
where: short stacking energy: -760.914
Base-Backbone interact. energy: -2.974
local terms energy: -845.632475
where:
bonds (distance) C4'-P energy: -152.862
bonds (distance) P-C4' energy: -166.569
flat angles C4'-P-C4' energy: -177.190
flat angles P-C4'-P energy: -129.933
tors. eta vs tors. theta energy: -219.078
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: 6, replica: 3
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -2244.371927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2244.371927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2244.371927 (E_RNA)
where:
Base-Base interactions energy: -1516.773
where: short stacking energy: -617.425
Base-Backbone interact. energy: 1.067
local terms energy: -728.666261
where:
bonds (distance) C4'-P energy: -146.589
bonds (distance) P-C4' energy: -137.977
flat angles C4'-P-C4' energy: -170.365
flat angles P-C4'-P energy: -113.665
tors. eta vs tors. theta energy: -160.069
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: 9
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -2005.601775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.601775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.601775 (E_RNA)
where:
Base-Base interactions energy: -1285.683
where: short stacking energy: -592.327
Base-Backbone interact. energy: -0.877
local terms energy: -719.042527
where:
bonds (distance) C4'-P energy: -125.205
bonds (distance) P-C4' energy: -163.555
flat angles C4'-P-C4' energy: -173.175
flat angles P-C4'-P energy: -95.374
tors. eta vs tors. theta energy: -161.734
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: 8
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -1156.842405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.842405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.842405 (E_RNA)
where:
Base-Base interactions energy: -602.855
where: short stacking energy: -319.576
Base-Backbone interact. energy: 0.709
local terms energy: -554.696486
where:
bonds (distance) C4'-P energy: -160.713
bonds (distance) P-C4' energy: -148.494
flat angles C4'-P-C4' energy: -145.507
flat angles P-C4'-P energy: -82.818
tors. eta vs tors. theta energy: -17.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -1050.116611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.116611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.116611 (E_RNA)
where:
Base-Base interactions energy: -545.213
where: short stacking energy: -301.197
Base-Backbone interact. energy: 2.642
local terms energy: -507.545177
where:
bonds (distance) C4'-P energy: -139.206
bonds (distance) P-C4' energy: -152.655
flat angles C4'-P-C4' energy: -135.348
flat angles P-C4'-P energy: -73.104
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: 4
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -795.650324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.650324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.650324 (E_RNA)
where:
Base-Base interactions energy: -355.530
where: short stacking energy: -199.895
Base-Backbone interact. energy: 1.542
local terms energy: -441.662202
where:
bonds (distance) C4'-P energy: -137.605
bonds (distance) P-C4' energy: -145.247
flat angles C4'-P-C4' energy: -130.099
flat angles P-C4'-P energy: -48.094
tors. eta vs tors. theta energy: 19.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -3075.917354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3075.917354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3075.917354 (E_RNA)
where:
Base-Base interactions energy: -2118.983
where: short stacking energy: -877.069
Base-Backbone interact. energy: -4.836
local terms energy: -952.590096
where:
bonds (distance) C4'-P energy: -167.739
bonds (distance) P-C4' energy: -178.302
flat angles C4'-P-C4' energy: -209.936
flat angles P-C4'-P energy: -132.717
tors. eta vs tors. theta energy: -263.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.492 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -2916.111190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2916.111190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2916.111190 (E_RNA)
where:
Base-Base interactions energy: -1991.955
where: short stacking energy: -823.458
Base-Backbone interact. energy: -3.154
local terms energy: -921.002143
where:
bonds (distance) C4'-P energy: -172.226
bonds (distance) P-C4' energy: -180.347
flat angles C4'-P-C4' energy: -188.614
flat angles P-C4'-P energy: -128.116
tors. eta vs tors. theta energy: -251.698
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: 6
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -2757.163286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2757.163286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2757.163286 (E_RNA)
where:
Base-Base interactions energy: -1857.592
where: short stacking energy: -817.453
Base-Backbone interact. energy: -5.093
local terms energy: -894.478506
where:
bonds (distance) C4'-P energy: -172.235
bonds (distance) P-C4' energy: -165.027
flat angles C4'-P-C4' energy: -184.115
flat angles P-C4'-P energy: -136.686
tors. eta vs tors. theta energy: -236.416
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: 1
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -2671.464617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2671.464617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2671.464617 (E_RNA)
where:
Base-Base interactions energy: -1817.877
where: short stacking energy: -756.011
Base-Backbone interact. energy: -1.576
local terms energy: -852.011926
where:
bonds (distance) C4'-P energy: -151.978
bonds (distance) P-C4' energy: -169.926
flat angles C4'-P-C4' energy: -181.550
flat angles P-C4'-P energy: -118.165
tors. eta vs tors. theta energy: -230.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -2532.078344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2532.078344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2532.078344 (E_RNA)
where:
Base-Base interactions energy: -1698.629
where: short stacking energy: -737.558
Base-Backbone interact. energy: -1.837
local terms energy: -831.612070
where:
bonds (distance) C4'-P energy: -154.218
bonds (distance) P-C4' energy: -158.413
flat angles C4'-P-C4' energy: -185.769
flat angles P-C4'-P energy: -109.859
tors. eta vs tors. theta energy: -223.352
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: 3
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -2249.421576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2249.421576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2249.421576 (E_RNA)
where:
Base-Base interactions energy: -1505.812
where: short stacking energy: -626.989
Base-Backbone interact. energy: -2.468
local terms energy: -741.141971
where:
bonds (distance) C4'-P energy: -141.000
bonds (distance) P-C4' energy: -163.753
flat angles C4'-P-C4' energy: -163.163
flat angles P-C4'-P energy: -111.330
tors. eta vs tors. theta energy: -161.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -2010.663898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.663898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.663898 (E_RNA)
where:
Base-Base interactions energy: -1289.477
where: short stacking energy: -565.262
Base-Backbone interact. energy: 1.190
local terms energy: -722.377047
where:
bonds (distance) C4'-P energy: -152.227
bonds (distance) P-C4' energy: -161.744
flat angles C4'-P-C4' energy: -157.189
flat angles P-C4'-P energy: -110.649
tors. eta vs tors. theta energy: -140.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -1118.027439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.027439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.027439 (E_RNA)
where:
Base-Base interactions energy: -574.798
where: short stacking energy: -326.980
Base-Backbone interact. energy: 4.077
local terms energy: -547.306002
where:
bonds (distance) C4'-P energy: -150.416
bonds (distance) P-C4' energy: -175.174
flat angles C4'-P-C4' energy: -109.297
flat angles P-C4'-P energy: -72.790
tors. eta vs tors. theta energy: -39.630
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: 8
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -1071.429296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.429296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.429296 (E_RNA)
where:
Base-Base interactions energy: -589.605
where: short stacking energy: -295.144
Base-Backbone interact. energy: 4.147
local terms energy: -485.971136
where:
bonds (distance) C4'-P energy: -140.065
bonds (distance) P-C4' energy: -141.211
flat angles C4'-P-C4' energy: -136.611
flat angles P-C4'-P energy: -71.102
tors. eta vs tors. theta energy: 3.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -836.764844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.764844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.764844 (E_RNA)
where:
Base-Base interactions energy: -384.510
where: short stacking energy: -218.876
Base-Backbone interact. energy: 6.270
local terms energy: -458.524849
where:
bonds (distance) C4'-P energy: -142.480
bonds (distance) P-C4' energy: -144.279
flat angles C4'-P-C4' energy: -126.311
flat angles P-C4'-P energy: -75.587
tors. eta vs tors. theta energy: 30.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -3080.856092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3080.856092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3080.856092 (E_RNA)
where:
Base-Base interactions energy: -2127.100
where: short stacking energy: -896.612
Base-Backbone interact. energy: -4.008
local terms energy: -950.358333
where:
bonds (distance) C4'-P energy: -151.593
bonds (distance) P-C4' energy: -193.874
flat angles C4'-P-C4' energy: -211.777
flat angles P-C4'-P energy: -131.403
tors. eta vs tors. theta energy: -261.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.611 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -2976.596753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2976.596753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2976.596753 (E_RNA)
where:
Base-Base interactions energy: -2052.940
where: short stacking energy: -871.773
Base-Backbone interact. energy: -6.420
local terms energy: -917.236760
where:
bonds (distance) C4'-P energy: -166.796
bonds (distance) P-C4' energy: -159.776
flat angles C4'-P-C4' energy: -204.706
flat angles P-C4'-P energy: -118.592
tors. eta vs tors. theta energy: -267.367
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: 6
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -2771.521609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2771.521609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2771.521609 (E_RNA)
where:
Base-Base interactions energy: -1884.857
where: short stacking energy: -808.356
Base-Backbone interact. energy: -2.060
local terms energy: -884.603933
where:
bonds (distance) C4'-P energy: -155.089
bonds (distance) P-C4' energy: -179.710
flat angles C4'-P-C4' energy: -186.495
flat angles P-C4'-P energy: -121.449
tors. eta vs tors. theta energy: -241.860
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: 1
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -2688.886785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2688.886785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2688.886785 (E_RNA)
where:
Base-Base interactions energy: -1845.299
where: short stacking energy: -770.556
Base-Backbone interact. energy: -5.572
local terms energy: -838.015772
where:
bonds (distance) C4'-P energy: -164.681
bonds (distance) P-C4' energy: -151.424
flat angles C4'-P-C4' energy: -167.925
flat angles P-C4'-P energy: -117.977
tors. eta vs tors. theta energy: -236.009
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: 5
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -2487.568351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2487.568351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2487.568351 (E_RNA)
where:
Base-Base interactions energy: -1647.518
where: short stacking energy: -724.814
Base-Backbone interact. energy: -2.470
local terms energy: -837.580821
where:
bonds (distance) C4'-P energy: -157.291
bonds (distance) P-C4' energy: -162.128
flat angles C4'-P-C4' energy: -183.495
flat angles P-C4'-P energy: -111.372
tors. eta vs tors. theta energy: -223.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -2106.866800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.866800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.866800 (E_RNA)
where:
Base-Base interactions energy: -1406.541
where: short stacking energy: -576.015
Base-Backbone interact. energy: -1.227
local terms energy: -699.098498
where:
bonds (distance) C4'-P energy: -144.877
bonds (distance) P-C4' energy: -164.970
flat angles C4'-P-C4' energy: -163.531
flat angles P-C4'-P energy: -90.678
tors. eta vs tors. theta energy: -135.043
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: 9
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -1972.651915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.651915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.651915 (E_RNA)
where:
Base-Base interactions energy: -1241.315
where: short stacking energy: -556.279
Base-Backbone interact. energy: 5.328
local terms energy: -736.665326
where:
bonds (distance) C4'-P energy: -165.142
bonds (distance) P-C4' energy: -154.820
flat angles C4'-P-C4' energy: -184.491
flat angles P-C4'-P energy: -90.853
tors. eta vs tors. theta energy: -141.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -1112.040587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.040587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.040587 (E_RNA)
where:
Base-Base interactions energy: -580.635
where: short stacking energy: -316.980
Base-Backbone interact. energy: 2.825
local terms energy: -534.230581
where:
bonds (distance) C4'-P energy: -144.200
bonds (distance) P-C4' energy: -156.590
flat angles C4'-P-C4' energy: -150.907
flat angles P-C4'-P energy: -80.844
tors. eta vs tors. theta energy: -1.690
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: 8
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -1033.940894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.940894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.940894 (E_RNA)
where:
Base-Base interactions energy: -525.650
where: short stacking energy: -301.905
Base-Backbone interact. energy: -0.436
local terms energy: -507.854585
where:
bonds (distance) C4'-P energy: -147.306
bonds (distance) P-C4' energy: -154.275
flat angles C4'-P-C4' energy: -137.479
flat angles P-C4'-P energy: -65.886
tors. eta vs tors. theta energy: -2.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -827.753423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.753423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.753423 (E_RNA)
where:
Base-Base interactions energy: -387.474
where: short stacking energy: -230.003
Base-Backbone interact. energy: 0.887
local terms energy: -441.166410
where:
bonds (distance) C4'-P energy: -154.870
bonds (distance) P-C4' energy: -132.332
flat angles C4'-P-C4' energy: -111.889
flat angles P-C4'-P energy: -51.556
tors. eta vs tors. theta energy: 9.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -3060.060954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3060.060954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3060.060954 (E_RNA)
where:
Base-Base interactions energy: -2107.034
where: short stacking energy: -857.146
Base-Backbone interact. energy: 4.126
local terms energy: -958.004280
where:
bonds (distance) C4'-P energy: -177.492
bonds (distance) P-C4' energy: -187.049
flat angles C4'-P-C4' energy: -197.407
flat angles P-C4'-P energy: -136.841
tors. eta vs tors. theta energy: -259.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.851 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -2939.698543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2939.698543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2939.698543 (E_RNA)
where:
Base-Base interactions energy: -1994.944
where: short stacking energy: -784.313
Base-Backbone interact. energy: -6.333
local terms energy: -938.420800
where:
bonds (distance) C4'-P energy: -170.000
bonds (distance) P-C4' energy: -177.607
flat angles C4'-P-C4' energy: -206.971
flat angles P-C4'-P energy: -134.803
tors. eta vs tors. theta energy: -249.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -2760.685346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2760.685346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2760.685346 (E_RNA)
where:
Base-Base interactions energy: -1849.271
where: short stacking energy: -767.466
Base-Backbone interact. energy: -2.314
local terms energy: -909.099634
where:
bonds (distance) C4'-P energy: -185.402
bonds (distance) P-C4' energy: -162.123
flat angles C4'-P-C4' energy: -188.219
flat angles P-C4'-P energy: -128.126
tors. eta vs tors. theta energy: -245.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -2697.100185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2697.100185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2697.100185 (E_RNA)
where:
Base-Base interactions energy: -1824.436
where: short stacking energy: -765.063
Base-Backbone interact. energy: -3.921
local terms energy: -868.742724
where:
bonds (distance) C4'-P energy: -167.011
bonds (distance) P-C4' energy: -161.975
flat angles C4'-P-C4' energy: -181.640
flat angles P-C4'-P energy: -120.599
tors. eta vs tors. theta energy: -237.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -2441.330917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2441.330917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2441.330917 (E_RNA)
where:
Base-Base interactions energy: -1647.407
where: short stacking energy: -742.612
Base-Backbone interact. energy: -0.604
local terms energy: -793.320071
where:
bonds (distance) C4'-P energy: -156.221
bonds (distance) P-C4' energy: -134.119
flat angles C4'-P-C4' energy: -181.332
flat angles P-C4'-P energy: -106.107
tors. eta vs tors. theta energy: -215.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -2110.785891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.785891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.785891 (E_RNA)
where:
Base-Base interactions energy: -1431.319
where: short stacking energy: -575.914
Base-Backbone interact. energy: -0.437
local terms energy: -679.029463
where:
bonds (distance) C4'-P energy: -141.559
bonds (distance) P-C4' energy: -141.543
flat angles C4'-P-C4' energy: -150.837
flat angles P-C4'-P energy: -98.092
tors. eta vs tors. theta energy: -146.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -1876.686716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.686716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.686716 (E_RNA)
where:
Base-Base interactions energy: -1180.224
where: short stacking energy: -532.467
Base-Backbone interact. energy: -3.877
local terms energy: -692.585237
where:
bonds (distance) C4'-P energy: -170.197
bonds (distance) P-C4' energy: -159.148
flat angles C4'-P-C4' energy: -153.875
flat angles P-C4'-P energy: -101.849
tors. eta vs tors. theta energy: -107.516
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: 469
Temperature: 1.250000
Total energy: -1124.746504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.746504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.746504 (E_RNA)
where:
Base-Base interactions energy: -581.311
where: short stacking energy: -302.929
Base-Backbone interact. energy: -6.994
local terms energy: -536.441544
where:
bonds (distance) C4'-P energy: -155.322
bonds (distance) P-C4' energy: -149.392
flat angles C4'-P-C4' energy: -154.910
flat angles P-C4'-P energy: -67.950
tors. eta vs tors. theta energy: -8.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -1019.826315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.826315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.826315 (E_RNA)
where:
Base-Base interactions energy: -541.488
where: short stacking energy: -268.957
Base-Backbone interact. energy: 0.769
local terms energy: -479.107747
where:
bonds (distance) C4'-P energy: -130.474
bonds (distance) P-C4' energy: -141.972
flat angles C4'-P-C4' energy: -163.463
flat angles P-C4'-P energy: -69.383
tors. eta vs tors. theta energy: 26.184
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: 4
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -854.910364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.910364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.910364 (E_RNA)
where:
Base-Base interactions energy: -435.192
where: short stacking energy: -234.569
Base-Backbone interact. energy: 4.772
local terms energy: -424.490118
where:
bonds (distance) C4'-P energy: -133.625
bonds (distance) P-C4' energy: -129.672
flat angles C4'-P-C4' energy: -129.908
flat angles P-C4'-P energy: -59.092
tors. eta vs tors. theta energy: 27.807
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: 7
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -3050.167120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3050.167120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3050.167120 (E_RNA)
where:
Base-Base interactions energy: -2113.408
where: short stacking energy: -862.946
Base-Backbone interact. energy: -3.041
local terms energy: -933.889644
where:
bonds (distance) C4'-P energy: -176.278
bonds (distance) P-C4' energy: -181.378
flat angles C4'-P-C4' energy: -184.148
flat angles P-C4'-P energy: -134.105
tors. eta vs tors. theta energy: -257.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.171 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -2911.816366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2911.816366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2911.816366 (E_RNA)
where:
Base-Base interactions energy: -1956.277
where: short stacking energy: -813.899
Base-Backbone interact. energy: -5.636
local terms energy: -949.903344
where:
bonds (distance) C4'-P energy: -166.919
bonds (distance) P-C4' energy: -174.522
flat angles C4'-P-C4' energy: -199.960
flat angles P-C4'-P energy: -148.658
tors. eta vs tors. theta energy: -259.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -2764.872200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2764.872200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2764.872200 (E_RNA)
where:
Base-Base interactions energy: -1869.181
where: short stacking energy: -796.660
Base-Backbone interact. energy: -6.630
local terms energy: -889.061611
where:
bonds (distance) C4'-P energy: -160.933
bonds (distance) P-C4' energy: -166.795
flat angles C4'-P-C4' energy: -194.042
flat angles P-C4'-P energy: -129.959
tors. eta vs tors. theta energy: -237.333
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: 4, replica: 6
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -2613.245371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2613.245371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2613.245371 (E_RNA)
where:
Base-Base interactions energy: -1755.584
where: short stacking energy: -740.166
Base-Backbone interact. energy: -0.325
local terms energy: -857.335806
where:
bonds (distance) C4'-P energy: -159.389
bonds (distance) P-C4' energy: -148.953
flat angles C4'-P-C4' energy: -203.708
flat angles P-C4'-P energy: -122.340
tors. eta vs tors. theta energy: -222.946
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: 5
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -2404.130729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2404.130729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2404.130729 (E_RNA)
where:
Base-Base interactions energy: -1608.256
where: short stacking energy: -701.340
Base-Backbone interact. energy: -2.126
local terms energy: -793.748297
where:
bonds (distance) C4'-P energy: -149.306
bonds (distance) P-C4' energy: -155.178
flat angles C4'-P-C4' energy: -166.126
flat angles P-C4'-P energy: -109.326
tors. eta vs tors. theta energy: -213.813
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: 3
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -2179.770719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.770719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2179.770719 (E_RNA)
where:
Base-Base interactions energy: -1472.756
where: short stacking energy: -578.181
Base-Backbone interact. energy: 0.650
local terms energy: -707.664280
where:
bonds (distance) C4'-P energy: -138.241
bonds (distance) P-C4' energy: -166.837
flat angles C4'-P-C4' energy: -165.977
flat angles P-C4'-P energy: -94.859
tors. eta vs tors. theta energy: -141.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -1915.984942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.984942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.984942 (E_RNA)
where:
Base-Base interactions energy: -1226.731
where: short stacking energy: -542.565
Base-Backbone interact. energy: -0.356
local terms energy: -688.897658
where:
bonds (distance) C4'-P energy: -134.516
bonds (distance) P-C4' energy: -149.961
flat angles C4'-P-C4' energy: -156.170
flat angles P-C4'-P energy: -110.678
tors. eta vs tors. theta energy: -137.574
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: 2
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -1134.853924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.853924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.853924 (E_RNA)
where:
Base-Base interactions energy: -571.505
where: short stacking energy: -320.339
Base-Backbone interact. energy: -3.009
local terms energy: -560.340451
where:
bonds (distance) C4'-P energy: -148.921
bonds (distance) P-C4' energy: -162.246
flat angles C4'-P-C4' energy: -151.628
flat angles P-C4'-P energy: -78.279
tors. eta vs tors. theta energy: -19.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -1127.133228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.133228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.133228 (E_RNA)
where:
Base-Base interactions energy: -582.657
where: short stacking energy: -293.321
Base-Backbone interact. energy: 0.077
local terms energy: -544.552651
where:
bonds (distance) C4'-P energy: -131.533
bonds (distance) P-C4' energy: -138.922
flat angles C4'-P-C4' energy: -152.812
flat angles P-C4'-P energy: -91.824
tors. eta vs tors. theta energy: -29.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -844.482351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.482351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.482351 (E_RNA)
where:
Base-Base interactions energy: -385.986
where: short stacking energy: -241.077
Base-Backbone interact. energy: 1.097
local terms energy: -459.593180
where:
bonds (distance) C4'-P energy: -169.374
bonds (distance) P-C4' energy: -133.853
flat angles C4'-P-C4' energy: -96.187
flat angles P-C4'-P energy: -72.360
tors. eta vs tors. theta energy: 12.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -3083.111291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3083.111291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3083.111291 (E_RNA)
where:
Base-Base interactions energy: -2136.140
where: short stacking energy: -885.618
Base-Backbone interact. energy: -5.401
local terms energy: -941.570579
where:
bonds (distance) C4'-P energy: -176.729
bonds (distance) P-C4' energy: -151.624
flat angles C4'-P-C4' energy: -200.655
flat angles P-C4'-P energy: -145.009
tors. eta vs tors. theta energy: -267.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -2924.474083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2924.474083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2924.474083 (E_RNA)
where:
Base-Base interactions energy: -1960.403
where: short stacking energy: -820.298
Base-Backbone interact. energy: -1.205
local terms energy: -962.865855
where:
bonds (distance) C4'-P energy: -178.660
bonds (distance) P-C4' energy: -185.762
flat angles C4'-P-C4' energy: -198.067
flat angles P-C4'-P energy: -132.178
tors. eta vs tors. theta energy: -268.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -2762.974851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2762.974851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2762.974851 (E_RNA)
where:
Base-Base interactions energy: -1914.203
where: short stacking energy: -772.144
Base-Backbone interact. energy: -1.496
local terms energy: -847.275378
where:
bonds (distance) C4'-P energy: -162.915
bonds (distance) P-C4' energy: -150.174
flat angles C4'-P-C4' energy: -175.019
flat angles P-C4'-P energy: -119.779
tors. eta vs tors. theta energy: -239.388
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: 471
Temperature: 1.050000
Total energy: -2653.707442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2653.707442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2653.707442 (E_RNA)
where:
Base-Base interactions energy: -1807.754
where: short stacking energy: -764.575
Base-Backbone interact. energy: -2.490
local terms energy: -843.463396
where:
bonds (distance) C4'-P energy: -152.493
bonds (distance) P-C4' energy: -154.676
flat angles C4'-P-C4' energy: -192.039
flat angles P-C4'-P energy: -111.098
tors. eta vs tors. theta energy: -233.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -2451.214058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2451.214058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2451.214058 (E_RNA)
where:
Base-Base interactions energy: -1637.779
where: short stacking energy: -734.696
Base-Backbone interact. energy: -1.458
local terms energy: -811.976723
where:
bonds (distance) C4'-P energy: -143.518
bonds (distance) P-C4' energy: -172.973
flat angles C4'-P-C4' energy: -167.531
flat angles P-C4'-P energy: -123.682
tors. eta vs tors. theta energy: -204.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -2225.234565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2225.234565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2225.234565 (E_RNA)
where:
Base-Base interactions energy: -1486.963
where: short stacking energy: -616.422
Base-Backbone interact. energy: -3.023
local terms energy: -735.247911
where:
bonds (distance) C4'-P energy: -156.564
bonds (distance) P-C4' energy: -155.756
flat angles C4'-P-C4' energy: -161.974
flat angles P-C4'-P energy: -114.686
tors. eta vs tors. theta energy: -146.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -1954.756216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.756216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.756216 (E_RNA)
where:
Base-Base interactions energy: -1249.694
where: short stacking energy: -529.584
Base-Backbone interact. energy: 0.652
local terms energy: -705.713832
where:
bonds (distance) C4'-P energy: -139.119
bonds (distance) P-C4' energy: -164.514
flat angles C4'-P-C4' energy: -171.584
flat angles P-C4'-P energy: -93.981
tors. eta vs tors. theta energy: -136.516
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: 471
Temperature: 1.250000
Total energy: -1125.440960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.440960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.440960 (E_RNA)
where:
Base-Base interactions energy: -611.103
where: short stacking energy: -309.231
Base-Backbone interact. energy: 0.791
local terms energy: -515.129492
where:
bonds (distance) C4'-P energy: -162.365
bonds (distance) P-C4' energy: -136.220
flat angles C4'-P-C4' energy: -140.189
flat angles P-C4'-P energy: -70.329
tors. eta vs tors. theta energy: -6.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -1124.323317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.323317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.323317 (E_RNA)
where:
Base-Base interactions energy: -615.342
where: short stacking energy: -314.547
Base-Backbone interact. energy: -1.803
local terms energy: -507.178697
where:
bonds (distance) C4'-P energy: -123.331
bonds (distance) P-C4' energy: -151.032
flat angles C4'-P-C4' energy: -119.447
flat angles P-C4'-P energy: -80.919
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: 10, replica: 4
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -805.903220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.903220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.903220 (E_RNA)
where:
Base-Base interactions energy: -336.835
where: short stacking energy: -192.205
Base-Backbone interact. energy: 3.385
local terms energy: -472.453277
where:
bonds (distance) C4'-P energy: -132.558
bonds (distance) P-C4' energy: -140.161
flat angles C4'-P-C4' energy: -115.367
flat angles P-C4'-P energy: -92.781
tors. eta vs tors. theta energy: 8.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -3036.865747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3036.865747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3036.865747 (E_RNA)
where:
Base-Base interactions energy: -2086.113
where: short stacking energy: -854.839
Base-Backbone interact. energy: -1.676
local terms energy: -949.076738
where:
bonds (distance) C4'-P energy: -181.144
bonds (distance) P-C4' energy: -180.433
flat angles C4'-P-C4' energy: -196.038
flat angles P-C4'-P energy: -116.361
tors. eta vs tors. theta energy: -275.099
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: 10
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -2911.456020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2911.456020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2911.456020 (E_RNA)
where:
Base-Base interactions energy: -1978.852
where: short stacking energy: -842.910
Base-Backbone interact. energy: -3.613
local terms energy: -928.990977
where:
bonds (distance) C4'-P energy: -173.507
bonds (distance) P-C4' energy: -182.992
flat angles C4'-P-C4' energy: -197.576
flat angles P-C4'-P energy: -115.293
tors. eta vs tors. theta energy: -259.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -2753.802157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2753.802157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2753.802157 (E_RNA)
where:
Base-Base interactions energy: -1843.845
where: short stacking energy: -799.816
Base-Backbone interact. energy: -6.284
local terms energy: -903.672741
where:
bonds (distance) C4'-P energy: -184.291
bonds (distance) P-C4' energy: -150.109
flat angles C4'-P-C4' energy: -201.556
flat angles P-C4'-P energy: -129.694
tors. eta vs tors. theta energy: -238.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -2632.160868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2632.160868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2632.160868 (E_RNA)
where:
Base-Base interactions energy: -1770.043
where: short stacking energy: -756.398
Base-Backbone interact. energy: -5.491
local terms energy: -856.627070
where:
bonds (distance) C4'-P energy: -183.531
bonds (distance) P-C4' energy: -161.969
flat angles C4'-P-C4' energy: -195.288
flat angles P-C4'-P energy: -99.666
tors. eta vs tors. theta energy: -216.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -2437.757270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2437.757270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2437.757270 (E_RNA)
where:
Base-Base interactions energy: -1643.027
where: short stacking energy: -691.811
Base-Backbone interact. energy: -2.219
local terms energy: -792.511061
where:
bonds (distance) C4'-P energy: -159.935
bonds (distance) P-C4' energy: -170.606
flat angles C4'-P-C4' energy: -171.498
flat angles P-C4'-P energy: -90.631
tors. eta vs tors. theta energy: -199.840
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: 3
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -2179.578462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.578462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2179.578462 (E_RNA)
where:
Base-Base interactions energy: -1471.403
where: short stacking energy: -605.767
Base-Backbone interact. energy: -3.707
local terms energy: -704.468279
where:
bonds (distance) C4'-P energy: -157.272
bonds (distance) P-C4' energy: -159.785
flat angles C4'-P-C4' energy: -153.661
flat angles P-C4'-P energy: -85.641
tors. eta vs tors. theta energy: -148.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -1909.550925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.550925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.550925 (E_RNA)
where:
Base-Base interactions energy: -1245.267
where: short stacking energy: -539.196
Base-Backbone interact. energy: -0.771
local terms energy: -663.513665
where:
bonds (distance) C4'-P energy: -136.088
bonds (distance) P-C4' energy: -145.525
flat angles C4'-P-C4' energy: -165.280
flat angles P-C4'-P energy: -91.603
tors. eta vs tors. theta energy: -125.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -1146.323615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.323615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.323615 (E_RNA)
where:
Base-Base interactions energy: -594.198
where: short stacking energy: -361.813
Base-Backbone interact. energy: 1.840
local terms energy: -553.965597
where:
bonds (distance) C4'-P energy: -144.710
bonds (distance) P-C4' energy: -137.321
flat angles C4'-P-C4' energy: -146.961
flat angles P-C4'-P energy: -81.479
tors. eta vs tors. theta energy: -43.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -1100.867270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.867270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.867270 (E_RNA)
where:
Base-Base interactions energy: -622.389
where: short stacking energy: -295.091
Base-Backbone interact. energy: 0.574
local terms energy: -479.052045
where:
bonds (distance) C4'-P energy: -123.415
bonds (distance) P-C4' energy: -143.573
flat angles C4'-P-C4' energy: -118.937
flat angles P-C4'-P energy: -81.820
tors. eta vs tors. theta energy: -11.308
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: 4
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -812.072496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.072496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.072496 (E_RNA)
where:
Base-Base interactions energy: -329.070
where: short stacking energy: -222.754
Base-Backbone interact. energy: -1.605
local terms energy: -481.397311
where:
bonds (distance) C4'-P energy: -142.090
bonds (distance) P-C4' energy: -150.014
flat angles C4'-P-C4' energy: -140.339
flat angles P-C4'-P energy: -74.822
tors. eta vs tors. theta energy: 25.868
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: 7
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -3026.306781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3026.306781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3026.306781 (E_RNA)
where:
Base-Base interactions energy: -2087.571
where: short stacking energy: -848.613
Base-Backbone interact. energy: 3.109
local terms energy: -941.844980
where:
bonds (distance) C4'-P energy: -163.445
bonds (distance) P-C4' energy: -175.164
flat angles C4'-P-C4' energy: -202.877
flat angles P-C4'-P energy: -129.824
tors. eta vs tors. theta energy: -270.534
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: 10
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -2897.295827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2897.295827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2897.295827 (E_RNA)
where:
Base-Base interactions energy: -1954.392
where: short stacking energy: -800.344
Base-Backbone interact. energy: -4.532
local terms energy: -938.371718
where:
bonds (distance) C4'-P energy: -196.397
bonds (distance) P-C4' energy: -180.093
flat angles C4'-P-C4' energy: -198.356
flat angles P-C4'-P energy: -123.280
tors. eta vs tors. theta energy: -240.246
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: 1
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -2728.748287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2728.748287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2728.748287 (E_RNA)
where:
Base-Base interactions energy: -1827.609
where: short stacking energy: -760.744
Base-Backbone interact. energy: -1.383
local terms energy: -899.755819
where:
bonds (distance) C4'-P energy: -165.948
bonds (distance) P-C4' energy: -165.457
flat angles C4'-P-C4' energy: -200.067
flat angles P-C4'-P energy: -122.405
tors. eta vs tors. theta energy: -245.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -2652.611658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2652.611658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2652.611658 (E_RNA)
where:
Base-Base interactions energy: -1806.575
where: short stacking energy: -764.378
Base-Backbone interact. energy: 3.495
local terms energy: -849.531689
where:
bonds (distance) C4'-P energy: -155.575
bonds (distance) P-C4' energy: -159.949
flat angles C4'-P-C4' energy: -192.191
flat angles P-C4'-P energy: -122.374
tors. eta vs tors. theta energy: -219.443
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: 5
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -2480.869451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2480.869451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2480.869451 (E_RNA)
where:
Base-Base interactions energy: -1675.980
where: short stacking energy: -740.388
Base-Backbone interact. energy: 1.299
local terms energy: -806.188868
where:
bonds (distance) C4'-P energy: -142.957
bonds (distance) P-C4' energy: -162.869
flat angles C4'-P-C4' energy: -185.533
flat angles P-C4'-P energy: -105.992
tors. eta vs tors. theta energy: -208.838
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: 6, replica: 3
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -2121.665462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.665462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.665462 (E_RNA)
where:
Base-Base interactions energy: -1399.293
where: short stacking energy: -585.240
Base-Backbone interact. energy: 2.628
local terms energy: -725.000694
where:
bonds (distance) C4'-P energy: -147.641
bonds (distance) P-C4' energy: -159.365
flat angles C4'-P-C4' energy: -165.839
flat angles P-C4'-P energy: -119.006
tors. eta vs tors. theta energy: -133.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -1928.482645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.482645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.482645 (E_RNA)
where:
Base-Base interactions energy: -1247.052
where: short stacking energy: -550.794
Base-Backbone interact. energy: 8.829
local terms energy: -690.259330
where:
bonds (distance) C4'-P energy: -142.632
bonds (distance) P-C4' energy: -157.682
flat angles C4'-P-C4' energy: -171.820
flat angles P-C4'-P energy: -79.847
tors. eta vs tors. theta energy: -138.277
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: 2
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -1191.136137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.136137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.136137 (E_RNA)
where:
Base-Base interactions energy: -633.204
where: short stacking energy: -344.608
Base-Backbone interact. energy: 7.129
local terms energy: -565.060678
where:
bonds (distance) C4'-P energy: -142.771
bonds (distance) P-C4' energy: -168.315
flat angles C4'-P-C4' energy: -124.157
flat angles P-C4'-P energy: -89.067
tors. eta vs tors. theta energy: -40.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -1088.182415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.182415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.182415 (E_RNA)
where:
Base-Base interactions energy: -573.673
where: short stacking energy: -307.772
Base-Backbone interact. energy: -3.895
local terms energy: -510.614069
where:
bonds (distance) C4'-P energy: -149.945
bonds (distance) P-C4' energy: -157.170
flat angles C4'-P-C4' energy: -124.983
flat angles P-C4'-P energy: -58.592
tors. eta vs tors. theta energy: -19.925
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: 4
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -804.768948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.768948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.768948 (E_RNA)
where:
Base-Base interactions energy: -383.760
where: short stacking energy: -235.693
Base-Backbone interact. energy: 3.779
local terms energy: -424.788086
where:
bonds (distance) C4'-P energy: -129.158
bonds (distance) P-C4' energy: -145.754
flat angles C4'-P-C4' energy: -105.342
flat angles P-C4'-P energy: -63.986
tors. eta vs tors. theta energy: 19.451
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: 1, replica: 7
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -3062.420997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3062.420997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3062.420997 (E_RNA)
where:
Base-Base interactions energy: -2114.898
where: short stacking energy: -878.505
Base-Backbone interact. energy: -2.577
local terms energy: -944.945617
where:
bonds (distance) C4'-P energy: -181.940
bonds (distance) P-C4' energy: -179.690
flat angles C4'-P-C4' energy: -186.934
flat angles P-C4'-P energy: -126.562
tors. eta vs tors. theta energy: -269.819
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: 10
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -2928.344038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2928.344038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2928.344038 (E_RNA)
where:
Base-Base interactions energy: -1992.447
where: short stacking energy: -842.963
Base-Backbone interact. energy: -2.899
local terms energy: -932.998960
where:
bonds (distance) C4'-P energy: -157.279
bonds (distance) P-C4' energy: -173.422
flat angles C4'-P-C4' energy: -214.311
flat angles P-C4'-P energy: -128.391
tors. eta vs tors. theta energy: -259.596
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: 474
Temperature: 1.000000
Total energy: -2773.331786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2773.331786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2773.331786 (E_RNA)
where:
Base-Base interactions energy: -1888.541
where: short stacking energy: -813.042
Base-Backbone interact. energy: -1.032
local terms energy: -883.758318
where:
bonds (distance) C4'-P energy: -146.815
bonds (distance) P-C4' energy: -165.123
flat angles C4'-P-C4' energy: -191.417
flat angles P-C4'-P energy: -119.252
tors. eta vs tors. theta energy: -261.150
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: 4, replica: 6
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -2687.397758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2687.397758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2687.397758 (E_RNA)
where:
Base-Base interactions energy: -1839.156
where: short stacking energy: -765.144
Base-Backbone interact. energy: -4.641
local terms energy: -843.601146
where:
bonds (distance) C4'-P energy: -151.321
bonds (distance) P-C4' energy: -154.331
flat angles C4'-P-C4' energy: -186.295
flat angles P-C4'-P energy: -118.825
tors. eta vs tors. theta energy: -232.830
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: 5, replica: 5
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -2477.096757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2477.096757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2477.096757 (E_RNA)
where:
Base-Base interactions energy: -1670.037
where: short stacking energy: -751.585
Base-Backbone interact. energy: 1.312
local terms energy: -808.372429
where:
bonds (distance) C4'-P energy: -157.247
bonds (distance) P-C4' energy: -164.374
flat angles C4'-P-C4' energy: -182.687
flat angles P-C4'-P energy: -89.490
tors. eta vs tors. theta energy: -214.575
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: 474
Temperature: 1.150000
Total energy: -2073.528523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.528523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.528523 (E_RNA)
where:
Base-Base interactions energy: -1368.475
where: short stacking energy: -586.009
Base-Backbone interact. energy: 0.685
local terms energy: -705.739123
where:
bonds (distance) C4'-P energy: -144.201
bonds (distance) P-C4' energy: -161.391
flat angles C4'-P-C4' energy: -149.689
flat angles P-C4'-P energy: -93.819
tors. eta vs tors. theta energy: -156.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -1941.972886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.972886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.972886 (E_RNA)
where:
Base-Base interactions energy: -1270.305
where: short stacking energy: -571.653
Base-Backbone interact. energy: 0.969
local terms energy: -672.637105
where:
bonds (distance) C4'-P energy: -130.971
bonds (distance) P-C4' energy: -135.255
flat angles C4'-P-C4' energy: -157.741
flat angles P-C4'-P energy: -114.116
tors. eta vs tors. theta energy: -134.554
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: 2
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -1143.514212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.514212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.514212 (E_RNA)
where:
Base-Base interactions energy: -583.098
where: short stacking energy: -313.503
Base-Backbone interact. energy: -1.832
local terms energy: -558.584143
where:
bonds (distance) C4'-P energy: -159.889
bonds (distance) P-C4' energy: -157.633
flat angles C4'-P-C4' energy: -149.412
flat angles P-C4'-P energy: -72.507
tors. eta vs tors. theta energy: -19.143
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: 8
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -1091.390505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.390505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.390505 (E_RNA)
where:
Base-Base interactions energy: -573.336
where: short stacking energy: -290.608
Base-Backbone interact. energy: -2.216
local terms energy: -515.838245
where:
bonds (distance) C4'-P energy: -122.468
bonds (distance) P-C4' energy: -126.085
flat angles C4'-P-C4' energy: -133.471
flat angles P-C4'-P energy: -102.744
tors. eta vs tors. theta energy: -31.070
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: 10, replica: 4
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -809.749070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.749070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.749070 (E_RNA)
where:
Base-Base interactions energy: -333.853
where: short stacking energy: -229.123
Base-Backbone interact. energy: 4.970
local terms energy: -480.865651
where:
bonds (distance) C4'-P energy: -147.689
bonds (distance) P-C4' energy: -153.363
flat angles C4'-P-C4' energy: -119.458
flat angles P-C4'-P energy: -75.501
tors. eta vs tors. theta energy: 15.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -3045.178121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3045.178121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3045.178121 (E_RNA)
where:
Base-Base interactions energy: -2099.150
where: short stacking energy: -873.760
Base-Backbone interact. energy: -7.009
local terms energy: -939.019126
where:
bonds (distance) C4'-P energy: -174.115
bonds (distance) P-C4' energy: -187.546
flat angles C4'-P-C4' energy: -188.950
flat angles P-C4'-P energy: -129.246
tors. eta vs tors. theta energy: -259.162
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: 10
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -2907.674563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2907.674563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2907.674563 (E_RNA)
where:
Base-Base interactions energy: -2005.235
where: short stacking energy: -851.329
Base-Backbone interact. energy: 7.831
local terms energy: -910.270205
where:
bonds (distance) C4'-P energy: -160.755
bonds (distance) P-C4' energy: -165.851
flat angles C4'-P-C4' energy: -213.993
flat angles P-C4'-P energy: -119.765
tors. eta vs tors. theta energy: -249.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -2802.771475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2802.771475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2802.771475 (E_RNA)
where:
Base-Base interactions energy: -1901.871
where: short stacking energy: -792.169
Base-Backbone interact. energy: -3.044
local terms energy: -897.856430
where:
bonds (distance) C4'-P energy: -167.973
bonds (distance) P-C4' energy: -156.800
flat angles C4'-P-C4' energy: -201.418
flat angles P-C4'-P energy: -136.406
tors. eta vs tors. theta energy: -235.259
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: 6
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -2698.414442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2698.414442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2698.414442 (E_RNA)
where:
Base-Base interactions energy: -1834.890
where: short stacking energy: -760.311
Base-Backbone interact. energy: -0.237
local terms energy: -863.287406
where:
bonds (distance) C4'-P energy: -159.377
bonds (distance) P-C4' energy: -162.960
flat angles C4'-P-C4' energy: -190.873
flat angles P-C4'-P energy: -126.931
tors. eta vs tors. theta energy: -223.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -2517.163771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2517.163771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2517.163771 (E_RNA)
where:
Base-Base interactions energy: -1686.877
where: short stacking energy: -737.001
Base-Backbone interact. energy: 0.931
local terms energy: -831.217681
where:
bonds (distance) C4'-P energy: -140.566
bonds (distance) P-C4' energy: -179.363
flat angles C4'-P-C4' energy: -194.658
flat angles P-C4'-P energy: -114.281
tors. eta vs tors. theta energy: -202.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -2079.799414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.799414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.799414 (E_RNA)
where:
Base-Base interactions energy: -1406.521
where: short stacking energy: -602.737
Base-Backbone interact. energy: 4.329
local terms energy: -677.607863
where:
bonds (distance) C4'-P energy: -122.224
bonds (distance) P-C4' energy: -160.106
flat angles C4'-P-C4' energy: -156.343
flat angles P-C4'-P energy: -98.199
tors. eta vs tors. theta energy: -140.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -1900.657564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.657564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.657564 (E_RNA)
where:
Base-Base interactions energy: -1228.457
where: short stacking energy: -561.355
Base-Backbone interact. energy: 0.920
local terms energy: -673.119979
where:
bonds (distance) C4'-P energy: -169.345
bonds (distance) P-C4' energy: -140.626
flat angles C4'-P-C4' energy: -149.554
flat angles P-C4'-P energy: -89.771
tors. eta vs tors. theta energy: -123.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -1195.160291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.160291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.160291 (E_RNA)
where:
Base-Base interactions energy: -650.751
where: short stacking energy: -343.777
Base-Backbone interact. energy: 3.008
local terms energy: -547.417074
where:
bonds (distance) C4'-P energy: -150.387
bonds (distance) P-C4' energy: -137.488
flat angles C4'-P-C4' energy: -151.458
flat angles P-C4'-P energy: -82.667
tors. eta vs tors. theta energy: -25.417
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: 475
Temperature: 1.300000
Total energy: -1105.569216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.569216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.569216 (E_RNA)
where:
Base-Base interactions energy: -583.155
where: short stacking energy: -302.880
Base-Backbone interact. energy: 2.488
local terms energy: -524.902246
where:
bonds (distance) C4'-P energy: -138.952
bonds (distance) P-C4' energy: -134.064
flat angles C4'-P-C4' energy: -161.315
flat angles P-C4'-P energy: -80.993
tors. eta vs tors. theta energy: -9.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -754.847265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.847265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.847265 (E_RNA)
where:
Base-Base interactions energy: -303.991
where: short stacking energy: -185.418
Base-Backbone interact. energy: 2.648
local terms energy: -453.504424
where:
bonds (distance) C4'-P energy: -162.522
bonds (distance) P-C4' energy: -125.539
flat angles C4'-P-C4' energy: -134.710
flat angles P-C4'-P energy: -79.554
tors. eta vs tors. theta energy: 48.820
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: 7
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -3065.168348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3065.168348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3065.168348 (E_RNA)
where:
Base-Base interactions energy: -2098.060
where: short stacking energy: -910.536
Base-Backbone interact. energy: -2.993
local terms energy: -964.115656
where:
bonds (distance) C4'-P energy: -162.406
bonds (distance) P-C4' energy: -185.569
flat angles C4'-P-C4' energy: -213.148
flat angles P-C4'-P energy: -133.925
tors. eta vs tors. theta energy: -269.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -2914.117854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2914.117854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2914.117854 (E_RNA)
where:
Base-Base interactions energy: -2003.623
where: short stacking energy: -821.709
Base-Backbone interact. energy: -0.254
local terms energy: -910.240742
where:
bonds (distance) C4'-P energy: -166.805
bonds (distance) P-C4' energy: -172.786
flat angles C4'-P-C4' energy: -195.218
flat angles P-C4'-P energy: -115.657
tors. eta vs tors. theta energy: -259.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -2784.441951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2784.441951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2784.441951 (E_RNA)
where:
Base-Base interactions energy: -1886.282
where: short stacking energy: -769.656
Base-Backbone interact. energy: -6.079
local terms energy: -892.080721
where:
bonds (distance) C4'-P energy: -157.337
bonds (distance) P-C4' energy: -173.347
flat angles C4'-P-C4' energy: -189.838
flat angles P-C4'-P energy: -121.580
tors. eta vs tors. theta energy: -249.979
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: 4, replica: 1
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -2724.727360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2724.727360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2724.727360 (E_RNA)
where:
Base-Base interactions energy: -1835.042
where: short stacking energy: -786.685
Base-Backbone interact. energy: -2.209
local terms energy: -887.477219
where:
bonds (distance) C4'-P energy: -165.399
bonds (distance) P-C4' energy: -173.631
flat angles C4'-P-C4' energy: -189.967
flat angles P-C4'-P energy: -111.575
tors. eta vs tors. theta energy: -246.904
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: 476
Temperature: 1.100000
Total energy: -2542.716353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2542.716353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2542.716353 (E_RNA)
where:
Base-Base interactions energy: -1717.378
where: short stacking energy: -736.998
Base-Backbone interact. energy: 0.206
local terms energy: -825.544025
where:
bonds (distance) C4'-P energy: -147.838
bonds (distance) P-C4' energy: -156.716
flat angles C4'-P-C4' energy: -185.329
flat angles P-C4'-P energy: -120.162
tors. eta vs tors. theta energy: -215.498
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: 3
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -2039.722900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.722900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.722900 (E_RNA)
where:
Base-Base interactions energy: -1324.817
where: short stacking energy: -573.819
Base-Backbone interact. energy: -3.834
local terms energy: -711.071711
where:
bonds (distance) C4'-P energy: -154.746
bonds (distance) P-C4' energy: -143.956
flat angles C4'-P-C4' energy: -169.677
flat angles P-C4'-P energy: -102.160
tors. eta vs tors. theta energy: -140.533
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: 9
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -1902.825374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.825374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.825374 (E_RNA)
where:
Base-Base interactions energy: -1201.950
where: short stacking energy: -531.858
Base-Backbone interact. energy: -2.425
local terms energy: -698.450395
where:
bonds (distance) C4'-P energy: -154.805
bonds (distance) P-C4' energy: -152.949
flat angles C4'-P-C4' energy: -150.325
flat angles P-C4'-P energy: -122.801
tors. eta vs tors. theta energy: -117.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -1210.772782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.772782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.772782 (E_RNA)
where:
Base-Base interactions energy: -642.826
where: short stacking energy: -327.154
Base-Backbone interact. energy: -1.136
local terms energy: -566.810544
where:
bonds (distance) C4'-P energy: -132.594
bonds (distance) P-C4' energy: -160.730
flat angles C4'-P-C4' energy: -154.586
flat angles P-C4'-P energy: -86.401
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: 476
Temperature: 1.300000
Total energy: -1076.131851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.131851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.131851 (E_RNA)
where:
Base-Base interactions energy: -611.297
where: short stacking energy: -304.078
Base-Backbone interact. energy: 2.918
local terms energy: -467.752399
where:
bonds (distance) C4'-P energy: -132.808
bonds (distance) P-C4' energy: -137.306
flat angles C4'-P-C4' energy: -124.206
flat angles P-C4'-P energy: -71.736
tors. eta vs tors. theta energy: -1.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -813.577555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.577555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.577555 (E_RNA)
where:
Base-Base interactions energy: -335.083
where: short stacking energy: -221.713
Base-Backbone interact. energy: -1.801
local terms energy: -476.694120
where:
bonds (distance) C4'-P energy: -142.841
bonds (distance) P-C4' energy: -157.622
flat angles C4'-P-C4' energy: -123.908
flat angles P-C4'-P energy: -72.614
tors. eta vs tors. theta energy: 20.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -3034.558909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3034.558909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3034.558909 (E_RNA)
where:
Base-Base interactions energy: -2103.958
where: short stacking energy: -885.804
Base-Backbone interact. energy: -4.729
local terms energy: -925.872375
where:
bonds (distance) C4'-P energy: -172.485
bonds (distance) P-C4' energy: -162.246
flat angles C4'-P-C4' energy: -206.594
flat angles P-C4'-P energy: -128.234
tors. eta vs tors. theta energy: -256.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -2938.193683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2938.193683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2938.193683 (E_RNA)
where:
Base-Base interactions energy: -2016.649
where: short stacking energy: -844.673
Base-Backbone interact. energy: 0.979
local terms energy: -922.523283
where:
bonds (distance) C4'-P energy: -160.359
bonds (distance) P-C4' energy: -177.083
flat angles C4'-P-C4' energy: -196.146
flat angles P-C4'-P energy: -136.780
tors. eta vs tors. theta energy: -252.155
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: 3, replica: 6
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -2782.981109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2782.981109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2782.981109 (E_RNA)
where:
Base-Base interactions energy: -1915.956
where: short stacking energy: -786.195
Base-Backbone interact. energy: -0.818
local terms energy: -866.207058
where:
bonds (distance) C4'-P energy: -173.136
bonds (distance) P-C4' energy: -153.429
flat angles C4'-P-C4' energy: -179.577
flat angles P-C4'-P energy: -118.481
tors. eta vs tors. theta energy: -241.583
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: 4, replica: 1
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -2767.423438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2767.423438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2767.423438 (E_RNA)
where:
Base-Base interactions energy: -1880.638
where: short stacking energy: -775.096
Base-Backbone interact. energy: -0.290
local terms energy: -886.496139
where:
bonds (distance) C4'-P energy: -175.885
bonds (distance) P-C4' energy: -165.653
flat angles C4'-P-C4' energy: -190.969
flat angles P-C4'-P energy: -106.853
tors. eta vs tors. theta energy: -247.136
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: 5
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -2568.387053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2568.387053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2568.387053 (E_RNA)
where:
Base-Base interactions energy: -1708.264
where: short stacking energy: -743.559
Base-Backbone interact. energy: -0.027
local terms energy: -860.096264
where:
bonds (distance) C4'-P energy: -171.007
bonds (distance) P-C4' energy: -175.687
flat angles C4'-P-C4' energy: -195.319
flat angles P-C4'-P energy: -96.039
tors. eta vs tors. theta energy: -222.044
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: 3
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -2029.301894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.301894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.301894 (E_RNA)
where:
Base-Base interactions energy: -1348.835
where: short stacking energy: -611.830
Base-Backbone interact. energy: -6.061
local terms energy: -674.405562
where:
bonds (distance) C4'-P energy: -138.336
bonds (distance) P-C4' energy: -131.338
flat angles C4'-P-C4' energy: -155.100
flat angles P-C4'-P energy: -109.926
tors. eta vs tors. theta energy: -139.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -1961.431412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.431412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.431412 (E_RNA)
where:
Base-Base interactions energy: -1250.947
where: short stacking energy: -553.552
Base-Backbone interact. energy: -1.365
local terms energy: -709.119260
where:
bonds (distance) C4'-P energy: -149.734
bonds (distance) P-C4' energy: -153.705
flat angles C4'-P-C4' energy: -163.918
flat angles P-C4'-P energy: -102.944
tors. eta vs tors. theta energy: -138.818
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: 8, replica: 8
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -1209.572854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.572854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.572854 (E_RNA)
where:
Base-Base interactions energy: -660.108
where: short stacking energy: -366.792
Base-Backbone interact. energy: -0.705
local terms energy: -548.759985
where:
bonds (distance) C4'-P energy: -143.295
bonds (distance) P-C4' energy: -133.494
flat angles C4'-P-C4' energy: -148.411
flat angles P-C4'-P energy: -69.300
tors. eta vs tors. theta energy: -54.260
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: 477
Temperature: 1.300000
Total energy: -1155.711325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.711325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.711325 (E_RNA)
where:
Base-Base interactions energy: -616.418
where: short stacking energy: -327.191
Base-Backbone interact. energy: 2.939
local terms energy: -542.232407
where:
bonds (distance) C4'-P energy: -140.668
bonds (distance) P-C4' energy: -174.682
flat angles C4'-P-C4' energy: -121.465
flat angles P-C4'-P energy: -70.037
tors. eta vs tors. theta energy: -35.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -841.816281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.816281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.816281 (E_RNA)
where:
Base-Base interactions energy: -392.349
where: short stacking energy: -244.903
Base-Backbone interact. energy: 2.636
local terms energy: -452.103497
where:
bonds (distance) C4'-P energy: -139.662
bonds (distance) P-C4' energy: -146.924
flat angles C4'-P-C4' energy: -114.450
flat angles P-C4'-P energy: -77.784
tors. eta vs tors. theta energy: 26.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -3007.711160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3007.711160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3007.711160 (E_RNA)
where:
Base-Base interactions energy: -2080.885
where: short stacking energy: -877.336
Base-Backbone interact. energy: -3.338
local terms energy: -923.488322
where:
bonds (distance) C4'-P energy: -170.876
bonds (distance) P-C4' energy: -180.629
flat angles C4'-P-C4' energy: -202.393
flat angles P-C4'-P energy: -112.238
tors. eta vs tors. theta energy: -257.353
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: 10
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -2921.336528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2921.336528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2921.336528 (E_RNA)
where:
Base-Base interactions energy: -1992.180
where: short stacking energy: -849.610
Base-Backbone interact. energy: -0.362
local terms energy: -928.795214
where:
bonds (distance) C4'-P energy: -157.741
bonds (distance) P-C4' energy: -176.685
flat angles C4'-P-C4' energy: -206.532
flat angles P-C4'-P energy: -131.917
tors. eta vs tors. theta energy: -255.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -2787.901749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2787.901749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2787.901749 (E_RNA)
where:
Base-Base interactions energy: -1874.136
where: short stacking energy: -818.995
Base-Backbone interact. energy: -4.131
local terms energy: -909.634877
where:
bonds (distance) C4'-P energy: -171.152
bonds (distance) P-C4' energy: -171.273
flat angles C4'-P-C4' energy: -200.115
flat angles P-C4'-P energy: -121.550
tors. eta vs tors. theta energy: -245.544
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: 4, replica: 1
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -2705.004781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2705.004781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2705.004781 (E_RNA)
where:
Base-Base interactions energy: -1854.490
where: short stacking energy: -781.981
Base-Backbone interact. energy: -4.509
local terms energy: -846.005731
where:
bonds (distance) C4'-P energy: -151.333
bonds (distance) P-C4' energy: -185.319
flat angles C4'-P-C4' energy: -177.886
flat angles P-C4'-P energy: -109.974
tors. eta vs tors. theta energy: -221.493
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: 5
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -2529.463384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2529.463384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2529.463384 (E_RNA)
where:
Base-Base interactions energy: -1689.674
where: short stacking energy: -742.706
Base-Backbone interact. energy: -1.918
local terms energy: -837.872033
where:
bonds (distance) C4'-P energy: -140.036
bonds (distance) P-C4' energy: -161.704
flat angles C4'-P-C4' energy: -186.879
flat angles P-C4'-P energy: -125.397
tors. eta vs tors. theta energy: -223.857
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: 3
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -2001.682514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.682514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.682514 (E_RNA)
where:
Base-Base interactions energy: -1327.719
where: short stacking energy: -594.545
Base-Backbone interact. energy: 4.159
local terms energy: -678.121751
where:
bonds (distance) C4'-P energy: -154.234
bonds (distance) P-C4' energy: -138.340
flat angles C4'-P-C4' energy: -158.421
flat angles P-C4'-P energy: -94.607
tors. eta vs tors. theta energy: -132.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -1924.466485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.466485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.466485 (E_RNA)
where:
Base-Base interactions energy: -1236.498
where: short stacking energy: -552.739
Base-Backbone interact. energy: 1.720
local terms energy: -689.688938
where:
bonds (distance) C4'-P energy: -151.516
bonds (distance) P-C4' energy: -137.757
flat angles C4'-P-C4' energy: -149.616
flat angles P-C4'-P energy: -111.422
tors. eta vs tors. theta energy: -139.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -1249.971627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.971627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.971627 (E_RNA)
where:
Base-Base interactions energy: -657.183
where: short stacking energy: -342.427
Base-Backbone interact. energy: -2.484
local terms energy: -590.304814
where:
bonds (distance) C4'-P energy: -144.215
bonds (distance) P-C4' energy: -168.270
flat angles C4'-P-C4' energy: -147.803
flat angles P-C4'-P energy: -90.162
tors. eta vs tors. theta energy: -39.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -1132.528642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.528642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.528642 (E_RNA)
where:
Base-Base interactions energy: -628.055
where: short stacking energy: -315.861
Base-Backbone interact. energy: -4.292
local terms energy: -500.180967
where:
bonds (distance) C4'-P energy: -144.071
bonds (distance) P-C4' energy: -148.864
flat angles C4'-P-C4' energy: -112.596
flat angles P-C4'-P energy: -70.573
tors. eta vs tors. theta energy: -24.076
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: 4
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -874.209949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.209949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.209949 (E_RNA)
where:
Base-Base interactions energy: -449.076
where: short stacking energy: -261.624
Base-Backbone interact. energy: 7.771
local terms energy: -432.905675
where:
bonds (distance) C4'-P energy: -145.508
bonds (distance) P-C4' energy: -141.713
flat angles C4'-P-C4' energy: -117.983
flat angles P-C4'-P energy: -47.886
tors. eta vs tors. theta energy: 20.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -3022.571888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3022.571888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3022.571888 (E_RNA)
where:
Base-Base interactions energy: -2070.380
where: short stacking energy: -870.176
Base-Backbone interact. energy: -4.880
local terms energy: -947.311290
where:
bonds (distance) C4'-P energy: -185.688
bonds (distance) P-C4' energy: -163.602
flat angles C4'-P-C4' energy: -182.806
flat angles P-C4'-P energy: -145.797
tors. eta vs tors. theta energy: -269.418
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: 10
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -2930.822261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2930.822261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2930.822261 (E_RNA)
where:
Base-Base interactions energy: -2010.960
where: short stacking energy: -856.655
Base-Backbone interact. energy: 0.717
local terms energy: -920.579288
where:
bonds (distance) C4'-P energy: -174.854
bonds (distance) P-C4' energy: -172.990
flat angles C4'-P-C4' energy: -180.733
flat angles P-C4'-P energy: -134.725
tors. eta vs tors. theta energy: -257.277
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: 6
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -2782.664893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2782.664893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2782.664893 (E_RNA)
where:
Base-Base interactions energy: -1871.779
where: short stacking energy: -819.105
Base-Backbone interact. energy: -3.660
local terms energy: -907.225878
where:
bonds (distance) C4'-P energy: -173.904
bonds (distance) P-C4' energy: -172.050
flat angles C4'-P-C4' energy: -188.004
flat angles P-C4'-P energy: -126.511
tors. eta vs tors. theta energy: -246.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -2695.738826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2695.738826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2695.738826 (E_RNA)
where:
Base-Base interactions energy: -1867.148
where: short stacking energy: -760.188
Base-Backbone interact. energy: -4.009
local terms energy: -824.582186
where:
bonds (distance) C4'-P energy: -153.121
bonds (distance) P-C4' energy: -166.699
flat angles C4'-P-C4' energy: -174.563
flat angles P-C4'-P energy: -104.809
tors. eta vs tors. theta energy: -225.390
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: 5
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -2554.267152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2554.267152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2554.267152 (E_RNA)
where:
Base-Base interactions energy: -1733.796
where: short stacking energy: -753.797
Base-Backbone interact. energy: -3.313
local terms energy: -817.158956
where:
bonds (distance) C4'-P energy: -144.070
bonds (distance) P-C4' energy: -145.673
flat angles C4'-P-C4' energy: -186.178
flat angles P-C4'-P energy: -125.367
tors. eta vs tors. theta energy: -215.872
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: 3
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -2061.838942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.838942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.838942 (E_RNA)
where:
Base-Base interactions energy: -1396.321
where: short stacking energy: -617.269
Base-Backbone interact. energy: -4.261
local terms energy: -661.256767
where:
bonds (distance) C4'-P energy: -142.764
bonds (distance) P-C4' energy: -129.407
flat angles C4'-P-C4' energy: -148.166
flat angles P-C4'-P energy: -92.122
tors. eta vs tors. theta energy: -148.799
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: 9
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -1917.936003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.936003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.936003 (E_RNA)
where:
Base-Base interactions energy: -1248.584
where: short stacking energy: -561.939
Base-Backbone interact. energy: -2.765
local terms energy: -666.587478
where:
bonds (distance) C4'-P energy: -148.334
bonds (distance) P-C4' energy: -145.227
flat angles C4'-P-C4' energy: -172.176
flat angles P-C4'-P energy: -72.209
tors. eta vs tors. theta energy: -128.642
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: 8
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -1288.982581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.982581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.982581 (E_RNA)
where:
Base-Base interactions energy: -698.042
where: short stacking energy: -361.184
Base-Backbone interact. energy: -4.839
local terms energy: -586.101662
where:
bonds (distance) C4'-P energy: -145.456
bonds (distance) P-C4' energy: -144.131
flat angles C4'-P-C4' energy: -162.581
flat angles P-C4'-P energy: -81.961
tors. eta vs tors. theta energy: -51.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -1071.854266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.854266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.854266 (E_RNA)
where:
Base-Base interactions energy: -532.560
where: short stacking energy: -266.006
Base-Backbone interact. energy: 5.199
local terms energy: -544.493614
where:
bonds (distance) C4'-P energy: -141.899
bonds (distance) P-C4' energy: -153.296
flat angles C4'-P-C4' energy: -152.774
flat angles P-C4'-P energy: -79.098
tors. eta vs tors. theta energy: -17.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -829.367894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.367894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.367894 (E_RNA)
where:
Base-Base interactions energy: -356.761
where: short stacking energy: -227.109
Base-Backbone interact. energy: 0.330
local terms energy: -472.936829
where:
bonds (distance) C4'-P energy: -143.514
bonds (distance) P-C4' energy: -149.638
flat angles C4'-P-C4' energy: -99.991
flat angles P-C4'-P energy: -86.967
tors. eta vs tors. theta energy: 7.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -3025.899443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3025.899443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3025.899443 (E_RNA)
where:
Base-Base interactions energy: -2102.354
where: short stacking energy: -886.002
Base-Backbone interact. energy: -0.733
local terms energy: -922.812694
where:
bonds (distance) C4'-P energy: -172.103
bonds (distance) P-C4' energy: -176.078
flat angles C4'-P-C4' energy: -197.936
flat angles P-C4'-P energy: -128.355
tors. eta vs tors. theta energy: -248.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -2898.338768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2898.338768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2898.338768 (E_RNA)
where:
Base-Base interactions energy: -1967.240
where: short stacking energy: -849.434
Base-Backbone interact. energy: -8.167
local terms energy: -922.931766
where:
bonds (distance) C4'-P energy: -165.116
bonds (distance) P-C4' energy: -172.959
flat angles C4'-P-C4' energy: -202.410
flat angles P-C4'-P energy: -119.996
tors. eta vs tors. theta energy: -262.450
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: 3, replica: 1
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -2775.701881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2775.701881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2775.701881 (E_RNA)
where:
Base-Base interactions energy: -1896.774
where: short stacking energy: -807.553
Base-Backbone interact. energy: -0.381
local terms energy: -878.547068
where:
bonds (distance) C4'-P energy: -163.606
bonds (distance) P-C4' energy: -161.599
flat angles C4'-P-C4' energy: -204.174
flat angles P-C4'-P energy: -114.741
tors. eta vs tors. theta energy: -234.426
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: 6
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -2784.775054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2784.775054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2784.775054 (E_RNA)
where:
Base-Base interactions energy: -1864.991
where: short stacking energy: -775.781
Base-Backbone interact. energy: -1.584
local terms energy: -918.199822
where:
bonds (distance) C4'-P energy: -170.884
bonds (distance) P-C4' energy: -175.572
flat angles C4'-P-C4' energy: -191.517
flat angles P-C4'-P energy: -129.515
tors. eta vs tors. theta energy: -250.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -2539.445470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2539.445470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2539.445470 (E_RNA)
where:
Base-Base interactions energy: -1729.913
where: short stacking energy: -742.370
Base-Backbone interact. energy: 3.495
local terms energy: -813.027342
where:
bonds (distance) C4'-P energy: -166.596
bonds (distance) P-C4' energy: -161.949
flat angles C4'-P-C4' energy: -160.674
flat angles P-C4'-P energy: -104.650
tors. eta vs tors. theta energy: -219.159
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: 3
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -2129.218181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2129.218181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.218181 (E_RNA)
where:
Base-Base interactions energy: -1382.493
where: short stacking energy: -592.434
Base-Backbone interact. energy: -1.665
local terms energy: -745.060566
where:
bonds (distance) C4'-P energy: -167.042
bonds (distance) P-C4' energy: -169.610
flat angles C4'-P-C4' energy: -166.846
flat angles P-C4'-P energy: -92.290
tors. eta vs tors. theta energy: -149.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -1907.982329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.982329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.982329 (E_RNA)
where:
Base-Base interactions energy: -1227.439
where: short stacking energy: -544.461
Base-Backbone interact. energy: -0.591
local terms energy: -679.952477
where:
bonds (distance) C4'-P energy: -154.687
bonds (distance) P-C4' energy: -159.261
flat angles C4'-P-C4' energy: -139.351
flat angles P-C4'-P energy: -98.179
tors. eta vs tors. theta energy: -128.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -1209.428007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.428007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.428007 (E_RNA)
where:
Base-Base interactions energy: -662.666
where: short stacking energy: -318.497
Base-Backbone interact. energy: -0.264
local terms energy: -546.497528
where:
bonds (distance) C4'-P energy: -142.250
bonds (distance) P-C4' energy: -143.673
flat angles C4'-P-C4' energy: -139.783
flat angles P-C4'-P energy: -84.992
tors. eta vs tors. theta energy: -35.799
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: 480
Temperature: 1.300000
Total energy: -1072.277962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.277962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.277962 (E_RNA)
where:
Base-Base interactions energy: -584.227
where: short stacking energy: -328.290
Base-Backbone interact. energy: -1.909
local terms energy: -486.142381
where:
bonds (distance) C4'-P energy: -138.610
bonds (distance) P-C4' energy: -145.000
flat angles C4'-P-C4' energy: -128.158
flat angles P-C4'-P energy: -66.160
tors. eta vs tors. theta energy: -8.215
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: 4
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -810.793343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.793343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.793343 (E_RNA)
where:
Base-Base interactions energy: -372.107
where: short stacking energy: -223.010
Base-Backbone interact. energy: -4.089
local terms energy: -434.597474
where:
bonds (distance) C4'-P energy: -133.597
bonds (distance) P-C4' energy: -141.149
flat angles C4'-P-C4' energy: -97.029
flat angles P-C4'-P energy: -79.941
tors. eta vs tors. theta energy: 17.117
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: 7
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -3046.451028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3046.451028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3046.451028 (E_RNA)
where:
Base-Base interactions energy: -2090.061
where: short stacking energy: -850.688
Base-Backbone interact. energy: 0.091
local terms energy: -956.480720
where:
bonds (distance) C4'-P energy: -173.255
bonds (distance) P-C4' energy: -190.188
flat angles C4'-P-C4' energy: -214.522
flat angles P-C4'-P energy: -131.681
tors. eta vs tors. theta energy: -246.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -2918.524950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2918.524950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2918.524950 (E_RNA)
where:
Base-Base interactions energy: -1981.628
where: short stacking energy: -824.291
Base-Backbone interact. energy: -2.709
local terms energy: -934.187242
where:
bonds (distance) C4'-P energy: -169.417
bonds (distance) P-C4' energy: -180.959
flat angles C4'-P-C4' energy: -200.263
flat angles P-C4'-P energy: -130.323
tors. eta vs tors. theta energy: -253.225
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: 3, replica: 1
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -2814.455765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2814.455765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2814.455765 (E_RNA)
where:
Base-Base interactions energy: -1886.486
where: short stacking energy: -780.365
Base-Backbone interact. energy: -4.763
local terms energy: -923.207109
where:
bonds (distance) C4'-P energy: -166.100
bonds (distance) P-C4' energy: -186.610
flat angles C4'-P-C4' energy: -199.703
flat angles P-C4'-P energy: -125.460
tors. eta vs tors. theta energy: -245.334
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: 6
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -2736.646996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2736.646996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2736.646996 (E_RNA)
where:
Base-Base interactions energy: -1867.417
where: short stacking energy: -766.733
Base-Backbone interact. energy: -3.373
local terms energy: -865.856805
where:
bonds (distance) C4'-P energy: -152.447
bonds (distance) P-C4' energy: -181.987
flat angles C4'-P-C4' energy: -179.486
flat angles P-C4'-P energy: -126.629
tors. eta vs tors. theta energy: -225.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -2498.969924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2498.969924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2498.969924 (E_RNA)
where:
Base-Base interactions energy: -1656.293
where: short stacking energy: -732.198
Base-Backbone interact. energy: -2.032
local terms energy: -840.645275
where:
bonds (distance) C4'-P energy: -159.280
bonds (distance) P-C4' energy: -156.740
flat angles C4'-P-C4' energy: -187.185
flat angles P-C4'-P energy: -126.984
tors. eta vs tors. theta energy: -210.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -2169.487882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2169.487882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2169.487882 (E_RNA)
where:
Base-Base interactions energy: -1443.848
where: short stacking energy: -596.728
Base-Backbone interact. energy: -0.018
local terms energy: -725.621984
where:
bonds (distance) C4'-P energy: -148.300
bonds (distance) P-C4' energy: -146.289
flat angles C4'-P-C4' energy: -158.273
flat angles P-C4'-P energy: -116.730
tors. eta vs tors. theta energy: -156.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -1873.272676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.272676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.272676 (E_RNA)
where:
Base-Base interactions energy: -1187.491
where: short stacking energy: -542.447
Base-Backbone interact. energy: 1.152
local terms energy: -686.933822
where:
bonds (distance) C4'-P energy: -144.083
bonds (distance) P-C4' energy: -149.144
flat angles C4'-P-C4' energy: -162.142
flat angles P-C4'-P energy: -95.818
tors. eta vs tors. theta energy: -135.746
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: 8
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -1228.349764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.349764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.349764 (E_RNA)
where:
Base-Base interactions energy: -673.673
where: short stacking energy: -336.131
Base-Backbone interact. energy: 1.745
local terms energy: -556.421626
where:
bonds (distance) C4'-P energy: -135.066
bonds (distance) P-C4' energy: -164.540
flat angles C4'-P-C4' energy: -150.835
flat angles P-C4'-P energy: -72.345
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: 9, replica: 2
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -1121.358965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.358965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.358965 (E_RNA)
where:
Base-Base interactions energy: -627.563
where: short stacking energy: -317.784
Base-Backbone interact. energy: -2.240
local terms energy: -491.556378
where:
bonds (distance) C4'-P energy: -144.111
bonds (distance) P-C4' energy: -134.777
flat angles C4'-P-C4' energy: -103.858
flat angles P-C4'-P energy: -84.940
tors. eta vs tors. theta energy: -23.870
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: 4
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -815.652243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.652243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.652243 (E_RNA)
where:
Base-Base interactions energy: -349.256
where: short stacking energy: -225.091
Base-Backbone interact. energy: 1.258
local terms energy: -467.654631
where:
bonds (distance) C4'-P energy: -158.367
bonds (distance) P-C4' energy: -136.579
flat angles C4'-P-C4' energy: -118.803
flat angles P-C4'-P energy: -68.588
tors. eta vs tors. theta energy: 14.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -3038.979879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3038.979879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3038.979879 (E_RNA)
where:
Base-Base interactions energy: -2109.835
where: short stacking energy: -857.788
Base-Backbone interact. energy: -3.864
local terms energy: -925.280368
where:
bonds (distance) C4'-P energy: -175.734
bonds (distance) P-C4' energy: -181.964
flat angles C4'-P-C4' energy: -192.267
flat angles P-C4'-P energy: -124.391
tors. eta vs tors. theta energy: -250.924
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: 10
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -2900.871686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2900.871686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2900.871686 (E_RNA)
where:
Base-Base interactions energy: -1983.840
where: short stacking energy: -831.099
Base-Backbone interact. energy: -4.460
local terms energy: -912.571996
where:
bonds (distance) C4'-P energy: -165.215
bonds (distance) P-C4' energy: -159.880
flat angles C4'-P-C4' energy: -187.673
flat angles P-C4'-P energy: -141.875
tors. eta vs tors. theta energy: -257.930
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: 482
Temperature: 1.000000
Total energy: -2799.217109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2799.217109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2799.217109 (E_RNA)
where:
Base-Base interactions energy: -1866.715
where: short stacking energy: -791.953
Base-Backbone interact. energy: -0.459
local terms energy: -932.043442
where:
bonds (distance) C4'-P energy: -168.404
bonds (distance) P-C4' energy: -176.316
flat angles C4'-P-C4' energy: -199.630
flat angles P-C4'-P energy: -139.026
tors. eta vs tors. theta energy: -248.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -2716.920056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2716.920056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2716.920056 (E_RNA)
where:
Base-Base interactions energy: -1852.462
where: short stacking energy: -776.781
Base-Backbone interact. energy: 2.603
local terms energy: -867.061544
where:
bonds (distance) C4'-P energy: -171.503
bonds (distance) P-C4' energy: -167.771
flat angles C4'-P-C4' energy: -179.431
flat angles P-C4'-P energy: -112.470
tors. eta vs tors. theta energy: -235.886
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: 5, replica: 5
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -2567.484551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2567.484551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2567.484551 (E_RNA)
where:
Base-Base interactions energy: -1740.459
where: short stacking energy: -742.020
Base-Backbone interact. energy: 3.642
local terms energy: -830.667768
where:
bonds (distance) C4'-P energy: -163.869
bonds (distance) P-C4' energy: -142.105
flat angles C4'-P-C4' energy: -186.050
flat angles P-C4'-P energy: -124.500
tors. eta vs tors. theta energy: -214.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -2153.569021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2153.569021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2153.569021 (E_RNA)
where:
Base-Base interactions energy: -1372.079
where: short stacking energy: -607.251
Base-Backbone interact. energy: -4.900
local terms energy: -776.590593
where:
bonds (distance) C4'-P energy: -144.079
bonds (distance) P-C4' energy: -179.622
flat angles C4'-P-C4' energy: -181.798
flat angles P-C4'-P energy: -104.734
tors. eta vs tors. theta energy: -166.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -1933.965630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.965630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.965630 (E_RNA)
where:
Base-Base interactions energy: -1252.663
where: short stacking energy: -534.308
Base-Backbone interact. energy: 5.375
local terms energy: -686.677196
where:
bonds (distance) C4'-P energy: -149.495
bonds (distance) P-C4' energy: -153.752
flat angles C4'-P-C4' energy: -165.379
flat angles P-C4'-P energy: -98.739
tors. eta vs tors. theta energy: -119.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -1269.815814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.815814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.815814 (E_RNA)
where:
Base-Base interactions energy: -671.700
where: short stacking energy: -352.985
Base-Backbone interact. energy: -0.476
local terms energy: -597.639575
where:
bonds (distance) C4'-P energy: -123.715
bonds (distance) P-C4' energy: -166.719
flat angles C4'-P-C4' energy: -140.745
flat angles P-C4'-P energy: -112.281
tors. eta vs tors. theta energy: -54.180
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: 482
Temperature: 1.300000
Total energy: -1209.746009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.746009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.746009 (E_RNA)
where:
Base-Base interactions energy: -692.936
where: short stacking energy: -338.834
Base-Backbone interact. energy: -3.622
local terms energy: -513.187877
where:
bonds (distance) C4'-P energy: -135.128
bonds (distance) P-C4' energy: -140.576
flat angles C4'-P-C4' energy: -128.191
flat angles P-C4'-P energy: -72.596
tors. eta vs tors. theta energy: -36.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -771.673145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.673145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.673145 (E_RNA)
where:
Base-Base interactions energy: -360.461
where: short stacking energy: -215.124
Base-Backbone interact. energy: -2.601
local terms energy: -408.611448
where:
bonds (distance) C4'-P energy: -123.110
bonds (distance) P-C4' energy: -126.693
flat angles C4'-P-C4' energy: -115.826
flat angles P-C4'-P energy: -62.928
tors. eta vs tors. theta energy: 19.945
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: 7
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -3062.506825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3062.506825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3062.506825 (E_RNA)
where:
Base-Base interactions energy: -2100.229
where: short stacking energy: -851.539
Base-Backbone interact. energy: -1.770
local terms energy: -960.508003
where:
bonds (distance) C4'-P energy: -183.707
bonds (distance) P-C4' energy: -175.046
flat angles C4'-P-C4' energy: -208.675
flat angles P-C4'-P energy: -141.712
tors. eta vs tors. theta energy: -251.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -2924.245267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2924.245267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2924.245267 (E_RNA)
where:
Base-Base interactions energy: -1983.244
where: short stacking energy: -867.525
Base-Backbone interact. energy: -6.518
local terms energy: -934.483043
where:
bonds (distance) C4'-P energy: -174.140
bonds (distance) P-C4' energy: -176.245
flat angles C4'-P-C4' energy: -200.168
flat angles P-C4'-P energy: -126.436
tors. eta vs tors. theta energy: -257.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -2820.458454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2820.458454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2820.458454 (E_RNA)
where:
Base-Base interactions energy: -1911.944
where: short stacking energy: -806.194
Base-Backbone interact. energy: -3.116
local terms energy: -905.398573
where:
bonds (distance) C4'-P energy: -166.931
bonds (distance) P-C4' energy: -180.215
flat angles C4'-P-C4' energy: -183.520
flat angles P-C4'-P energy: -114.069
tors. eta vs tors. theta energy: -260.664
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: 6
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -2672.290293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2672.290293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2672.290293 (E_RNA)
where:
Base-Base interactions energy: -1800.642
where: short stacking energy: -770.645
Base-Backbone interact. energy: -3.456
local terms energy: -868.191584
where:
bonds (distance) C4'-P energy: -162.390
bonds (distance) P-C4' energy: -167.090
flat angles C4'-P-C4' energy: -174.821
flat angles P-C4'-P energy: -127.843
tors. eta vs tors. theta energy: -236.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -2511.076413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2511.076413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2511.076413 (E_RNA)
where:
Base-Base interactions energy: -1703.644
where: short stacking energy: -746.462
Base-Backbone interact. energy: 1.812
local terms energy: -809.244372
where:
bonds (distance) C4'-P energy: -155.971
bonds (distance) P-C4' energy: -156.926
flat angles C4'-P-C4' energy: -181.344
flat angles P-C4'-P energy: -108.287
tors. eta vs tors. theta energy: -206.716
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: 3
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -2219.806555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2219.806555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.806555 (E_RNA)
where:
Base-Base interactions energy: -1473.885
where: short stacking energy: -655.484
Base-Backbone interact. energy: 1.028
local terms energy: -746.949953
where:
bonds (distance) C4'-P energy: -143.181
bonds (distance) P-C4' energy: -173.083
flat angles C4'-P-C4' energy: -173.387
flat angles P-C4'-P energy: -99.299
tors. eta vs tors. theta energy: -158.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -1987.069175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.069175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.069175 (E_RNA)
where:
Base-Base interactions energy: -1297.228
where: short stacking energy: -594.019
Base-Backbone interact. energy: 1.566
local terms energy: -691.407190
where:
bonds (distance) C4'-P energy: -154.127
bonds (distance) P-C4' energy: -136.941
flat angles C4'-P-C4' energy: -145.533
flat angles P-C4'-P energy: -112.742
tors. eta vs tors. theta energy: -142.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -1292.306001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.306001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.306001 (E_RNA)
where:
Base-Base interactions energy: -717.608
where: short stacking energy: -350.643
Base-Backbone interact. energy: -3.882
local terms energy: -570.815900
where:
bonds (distance) C4'-P energy: -138.295
bonds (distance) P-C4' energy: -162.032
flat angles C4'-P-C4' energy: -137.206
flat angles P-C4'-P energy: -92.822
tors. eta vs tors. theta energy: -40.461
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: 9, replica: 2
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -1214.991033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.991033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.991033 (E_RNA)
where:
Base-Base interactions energy: -668.427
where: short stacking energy: -365.043
Base-Backbone interact. energy: 2.472
local terms energy: -549.036261
where:
bonds (distance) C4'-P energy: -148.229
bonds (distance) P-C4' energy: -157.783
flat angles C4'-P-C4' energy: -127.324
flat angles P-C4'-P energy: -77.355
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: 10, replica: 4
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -758.958627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.958627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.958627 (E_RNA)
where:
Base-Base interactions energy: -299.504
where: short stacking energy: -199.431
Base-Backbone interact. energy: -0.573
local terms energy: -458.881634
where:
bonds (distance) C4'-P energy: -136.102
bonds (distance) P-C4' energy: -145.701
flat angles C4'-P-C4' energy: -125.299
flat angles P-C4'-P energy: -90.486
tors. eta vs tors. theta energy: 38.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -3054.223980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3054.223980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3054.223980 (E_RNA)
where:
Base-Base interactions energy: -2141.591
where: short stacking energy: -866.293
Base-Backbone interact. energy: -3.767
local terms energy: -908.866734
where:
bonds (distance) C4'-P energy: -167.307
bonds (distance) P-C4' energy: -171.779
flat angles C4'-P-C4' energy: -203.349
flat angles P-C4'-P energy: -124.091
tors. eta vs tors. theta energy: -242.341
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: 10
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -2921.824778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2921.824778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2921.824778 (E_RNA)
where:
Base-Base interactions energy: -1985.842
where: short stacking energy: -837.967
Base-Backbone interact. energy: -5.662
local terms energy: -930.321079
where:
bonds (distance) C4'-P energy: -176.802
bonds (distance) P-C4' energy: -184.227
flat angles C4'-P-C4' energy: -197.555
flat angles P-C4'-P energy: -128.899
tors. eta vs tors. theta energy: -242.837
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: 3, replica: 1
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -2813.511470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2813.511470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2813.511470 (E_RNA)
where:
Base-Base interactions energy: -1916.864
where: short stacking energy: -820.035
Base-Backbone interact. energy: -1.281
local terms energy: -895.366596
where:
bonds (distance) C4'-P energy: -153.913
bonds (distance) P-C4' energy: -183.822
flat angles C4'-P-C4' energy: -182.187
flat angles P-C4'-P energy: -116.806
tors. eta vs tors. theta energy: -258.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -2679.588093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2679.588093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2679.588093 (E_RNA)
where:
Base-Base interactions energy: -1833.405
where: short stacking energy: -763.376
Base-Backbone interact. energy: 2.818
local terms energy: -849.000204
where:
bonds (distance) C4'-P energy: -149.981
bonds (distance) P-C4' energy: -163.167
flat angles C4'-P-C4' energy: -189.745
flat angles P-C4'-P energy: -117.053
tors. eta vs tors. theta energy: -229.055
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: 5
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -2520.952320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2520.952320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2520.952320 (E_RNA)
where:
Base-Base interactions energy: -1698.273
where: short stacking energy: -745.665
Base-Backbone interact. energy: -1.897
local terms energy: -820.781800
where:
bonds (distance) C4'-P energy: -164.282
bonds (distance) P-C4' energy: -160.123
flat angles C4'-P-C4' energy: -179.827
flat angles P-C4'-P energy: -103.284
tors. eta vs tors. theta energy: -213.266
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: 3
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -2185.332579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.332579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.332579 (E_RNA)
where:
Base-Base interactions energy: -1472.705
where: short stacking energy: -640.808
Base-Backbone interact. energy: 3.315
local terms energy: -715.943231
where:
bonds (distance) C4'-P energy: -149.031
bonds (distance) P-C4' energy: -158.934
flat angles C4'-P-C4' energy: -154.627
flat angles P-C4'-P energy: -95.528
tors. eta vs tors. theta energy: -157.824
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: 9
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -1905.238722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.238722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.238722 (E_RNA)
where:
Base-Base interactions energy: -1221.286
where: short stacking energy: -523.617
Base-Backbone interact. energy: -4.859
local terms energy: -679.093338
where:
bonds (distance) C4'-P energy: -157.388
bonds (distance) P-C4' energy: -115.622
flat angles C4'-P-C4' energy: -164.741
flat angles P-C4'-P energy: -104.873
tors. eta vs tors. theta energy: -136.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -1293.932128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.932128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.932128 (E_RNA)
where:
Base-Base interactions energy: -726.488
where: short stacking energy: -350.753
Base-Backbone interact. energy: 6.219
local terms energy: -573.663766
where:
bonds (distance) C4'-P energy: -152.273
bonds (distance) P-C4' energy: -161.384
flat angles C4'-P-C4' energy: -135.651
flat angles P-C4'-P energy: -70.778
tors. eta vs tors. theta energy: -53.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -1153.270329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.270329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.270329 (E_RNA)
where:
Base-Base interactions energy: -642.289
where: short stacking energy: -330.194
Base-Backbone interact. energy: 4.811
local terms energy: -515.792535
where:
bonds (distance) C4'-P energy: -123.583
bonds (distance) P-C4' energy: -153.951
flat angles C4'-P-C4' energy: -132.443
flat angles P-C4'-P energy: -95.720
tors. eta vs tors. theta energy: -10.095
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: 4
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -819.696325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.696325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.696325 (E_RNA)
where:
Base-Base interactions energy: -397.575
where: short stacking energy: -244.173
Base-Backbone interact. energy: 0.373
local terms energy: -422.494714
where:
bonds (distance) C4'-P energy: -135.438
bonds (distance) P-C4' energy: -130.379
flat angles C4'-P-C4' energy: -113.961
flat angles P-C4'-P energy: -69.234
tors. eta vs tors. theta energy: 26.517
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: 7
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -3022.209620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3022.209620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3022.209620 (E_RNA)
where:
Base-Base interactions energy: -2097.370
where: short stacking energy: -858.001
Base-Backbone interact. energy: 0.016
local terms energy: -924.855682
where:
bonds (distance) C4'-P energy: -171.754
bonds (distance) P-C4' energy: -183.888
flat angles C4'-P-C4' energy: -195.472
flat angles P-C4'-P energy: -130.792
tors. eta vs tors. theta energy: -242.950
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: 485
Temperature: 0.950000
Total energy: -2946.865026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2946.865026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2946.865026 (E_RNA)
where:
Base-Base interactions energy: -1984.091
where: short stacking energy: -841.821
Base-Backbone interact. energy: -8.672
local terms energy: -954.102636
where:
bonds (distance) C4'-P energy: -175.025
bonds (distance) P-C4' energy: -184.564
flat angles C4'-P-C4' energy: -199.286
flat angles P-C4'-P energy: -127.806
tors. eta vs tors. theta energy: -267.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -2793.074989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2793.074989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2793.074989 (E_RNA)
where:
Base-Base interactions energy: -1895.117
where: short stacking energy: -784.157
Base-Backbone interact. energy: -4.685
local terms energy: -893.273433
where:
bonds (distance) C4'-P energy: -162.574
bonds (distance) P-C4' energy: -167.432
flat angles C4'-P-C4' energy: -187.219
flat angles P-C4'-P energy: -130.817
tors. eta vs tors. theta energy: -245.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -2636.845662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2636.845662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2636.845662 (E_RNA)
where:
Base-Base interactions energy: -1767.653
where: short stacking energy: -743.002
Base-Backbone interact. energy: -1.642
local terms energy: -867.550382
where:
bonds (distance) C4'-P energy: -163.058
bonds (distance) P-C4' energy: -178.897
flat angles C4'-P-C4' energy: -175.114
flat angles P-C4'-P energy: -121.713
tors. eta vs tors. theta energy: -228.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -2530.767061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2530.767061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2530.767061 (E_RNA)
where:
Base-Base interactions energy: -1719.639
where: short stacking energy: -749.119
Base-Backbone interact. energy: 3.043
local terms energy: -814.171867
where:
bonds (distance) C4'-P energy: -167.726
bonds (distance) P-C4' energy: -180.273
flat angles C4'-P-C4' energy: -157.730
flat angles P-C4'-P energy: -102.499
tors. eta vs tors. theta energy: -205.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -2176.052127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.052127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.052127 (E_RNA)
where:
Base-Base interactions energy: -1470.313
where: short stacking energy: -601.313
Base-Backbone interact. energy: -0.441
local terms energy: -705.298795
where:
bonds (distance) C4'-P energy: -137.486
bonds (distance) P-C4' energy: -164.027
flat angles C4'-P-C4' energy: -151.750
flat angles P-C4'-P energy: -95.864
tors. eta vs tors. theta energy: -156.172
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: 485
Temperature: 1.200000
Total energy: -1912.972222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.972222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.972222 (E_RNA)
where:
Base-Base interactions energy: -1210.650
where: short stacking energy: -532.028
Base-Backbone interact. energy: -2.398
local terms energy: -699.924656
where:
bonds (distance) C4'-P energy: -139.423
bonds (distance) P-C4' energy: -157.159
flat angles C4'-P-C4' energy: -168.379
flat angles P-C4'-P energy: -107.942
tors. eta vs tors. theta energy: -127.022
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: 8, replica: 8
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -1273.070188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.070188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.070188 (E_RNA)
where:
Base-Base interactions energy: -708.110
where: short stacking energy: -387.520
Base-Backbone interact. energy: -2.204
local terms energy: -562.756515
where:
bonds (distance) C4'-P energy: -129.981
bonds (distance) P-C4' energy: -167.814
flat angles C4'-P-C4' energy: -126.730
flat angles P-C4'-P energy: -84.723
tors. eta vs tors. theta energy: -53.509
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: 9, replica: 2
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -1088.970783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.970783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.970783 (E_RNA)
where:
Base-Base interactions energy: -563.457
where: short stacking energy: -282.644
Base-Backbone interact. energy: 5.065
local terms energy: -530.578237
where:
bonds (distance) C4'-P energy: -143.994
bonds (distance) P-C4' energy: -142.113
flat angles C4'-P-C4' energy: -157.205
flat angles P-C4'-P energy: -76.030
tors. eta vs tors. theta energy: -11.236
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: 4
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -788.313510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.313510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.313510 (E_RNA)
where:
Base-Base interactions energy: -369.708
where: short stacking energy: -206.164
Base-Backbone interact. energy: 0.277
local terms energy: -418.882816
where:
bonds (distance) C4'-P energy: -125.417
bonds (distance) P-C4' energy: -126.229
flat angles C4'-P-C4' energy: -121.056
flat angles P-C4'-P energy: -73.900
tors. eta vs tors. theta energy: 27.719
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: 486
Temperature: 0.900000
Total energy: -3019.878538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3019.878538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3019.878538 (E_RNA)
where:
Base-Base interactions energy: -2061.067
where: short stacking energy: -866.985
Base-Backbone interact. energy: -4.639
local terms energy: -954.172077
where:
bonds (distance) C4'-P energy: -161.271
bonds (distance) P-C4' energy: -178.807
flat angles C4'-P-C4' energy: -201.620
flat angles P-C4'-P energy: -138.508
tors. eta vs tors. theta energy: -273.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -2932.246415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2932.246415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2932.246415 (E_RNA)
where:
Base-Base interactions energy: -2016.648
where: short stacking energy: -862.365
Base-Backbone interact. energy: 1.483
local terms energy: -917.082044
where:
bonds (distance) C4'-P energy: -156.623
bonds (distance) P-C4' energy: -189.762
flat angles C4'-P-C4' energy: -198.477
flat angles P-C4'-P energy: -130.007
tors. eta vs tors. theta energy: -242.213
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: 1
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -2771.827930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2771.827930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2771.827930 (E_RNA)
where:
Base-Base interactions energy: -1898.647
where: short stacking energy: -775.229
Base-Backbone interact. energy: -5.245
local terms energy: -867.935375
where:
bonds (distance) C4'-P energy: -159.925
bonds (distance) P-C4' energy: -164.563
flat angles C4'-P-C4' energy: -183.134
flat angles P-C4'-P energy: -119.539
tors. eta vs tors. theta energy: -240.774
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: 6
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -2663.319378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2663.319378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2663.319378 (E_RNA)
where:
Base-Base interactions energy: -1812.142
where: short stacking energy: -772.109
Base-Backbone interact. energy: -3.567
local terms energy: -847.610154
where:
bonds (distance) C4'-P energy: -164.916
bonds (distance) P-C4' energy: -140.400
flat angles C4'-P-C4' energy: -185.241
flat angles P-C4'-P energy: -114.748
tors. eta vs tors. theta energy: -242.305
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: 5, replica: 5
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -2518.875534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2518.875534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2518.875534 (E_RNA)
where:
Base-Base interactions energy: -1696.609
where: short stacking energy: -710.007
Base-Backbone interact. energy: -1.977
local terms energy: -820.289370
where:
bonds (distance) C4'-P energy: -164.866
bonds (distance) P-C4' energy: -155.144
flat angles C4'-P-C4' energy: -173.600
flat angles P-C4'-P energy: -114.025
tors. eta vs tors. theta energy: -212.654
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: 6, replica: 3
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -2202.233900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2202.233900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2202.233900 (E_RNA)
where:
Base-Base interactions energy: -1451.568
where: short stacking energy: -631.466
Base-Backbone interact. energy: -0.756
local terms energy: -753.923893
where:
bonds (distance) C4'-P energy: -146.622
bonds (distance) P-C4' energy: -159.698
flat angles C4'-P-C4' energy: -165.456
flat angles P-C4'-P energy: -114.273
tors. eta vs tors. theta energy: -167.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 4.014 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -2080.293225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.293225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2080.293225 (E_RNA)
where:
Base-Base interactions energy: -1387.458
where: short stacking energy: -586.937
Base-Backbone interact. energy: -1.496
local terms energy: -691.338848
where:
bonds (distance) C4'-P energy: -130.074
bonds (distance) P-C4' energy: -160.280
flat angles C4'-P-C4' energy: -155.095
flat angles P-C4'-P energy: -98.302
tors. eta vs tors. theta energy: -147.586
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: 8, replica: 8
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -1303.789567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.789567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.789567 (E_RNA)
where:
Base-Base interactions energy: -721.707
where: short stacking energy: -387.550
Base-Backbone interact. energy: 0.276
local terms energy: -582.358392
where:
bonds (distance) C4'-P energy: -157.321
bonds (distance) P-C4' energy: -162.466
flat angles C4'-P-C4' energy: -142.336
flat angles P-C4'-P energy: -62.690
tors. eta vs tors. theta energy: -57.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -1078.527177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.527177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.527177 (E_RNA)
where:
Base-Base interactions energy: -582.385
where: short stacking energy: -312.298
Base-Backbone interact. energy: 3.236
local terms energy: -499.377486
where:
bonds (distance) C4'-P energy: -151.402
bonds (distance) P-C4' energy: -144.453
flat angles C4'-P-C4' energy: -123.614
flat angles P-C4'-P energy: -70.871
tors. eta vs tors. theta energy: -9.037
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: 4
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -844.274125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.274125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.274125 (E_RNA)
where:
Base-Base interactions energy: -377.482
where: short stacking energy: -244.483
Base-Backbone interact. energy: -2.826
local terms energy: -463.966370
where:
bonds (distance) C4'-P energy: -121.095
bonds (distance) P-C4' energy: -139.786
flat angles C4'-P-C4' energy: -101.671
flat angles P-C4'-P energy: -91.276
tors. eta vs tors. theta energy: -10.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -2993.633924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2993.633924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2993.633924 (E_RNA)
where:
Base-Base interactions energy: -2050.868
where: short stacking energy: -845.145
Base-Backbone interact. energy: -5.118
local terms energy: -937.648473
where:
bonds (distance) C4'-P energy: -182.501
bonds (distance) P-C4' energy: -164.624
flat angles C4'-P-C4' energy: -197.826
flat angles P-C4'-P energy: -125.664
tors. eta vs tors. theta energy: -267.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -2929.892998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2929.892998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2929.892998 (E_RNA)
where:
Base-Base interactions energy: -1995.041
where: short stacking energy: -845.618
Base-Backbone interact. energy: 2.225
local terms energy: -937.077029
where:
bonds (distance) C4'-P energy: -184.872
bonds (distance) P-C4' energy: -176.947
flat angles C4'-P-C4' energy: -193.916
flat angles P-C4'-P energy: -126.498
tors. eta vs tors. theta energy: -254.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -2796.178748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2796.178748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2796.178748 (E_RNA)
where:
Base-Base interactions energy: -1917.925
where: short stacking energy: -790.692
Base-Backbone interact. energy: -6.572
local terms energy: -871.682338
where:
bonds (distance) C4'-P energy: -172.269
bonds (distance) P-C4' energy: -175.530
flat angles C4'-P-C4' energy: -190.597
flat angles P-C4'-P energy: -114.182
tors. eta vs tors. theta energy: -219.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -2678.039783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2678.039783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2678.039783 (E_RNA)
where:
Base-Base interactions energy: -1852.881
where: short stacking energy: -776.014
Base-Backbone interact. energy: -3.736
local terms energy: -821.422016
where:
bonds (distance) C4'-P energy: -165.364
bonds (distance) P-C4' energy: -141.379
flat angles C4'-P-C4' energy: -163.689
flat angles P-C4'-P energy: -121.131
tors. eta vs tors. theta energy: -229.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -2537.184066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2537.184066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2537.184066 (E_RNA)
where:
Base-Base interactions energy: -1712.051
where: short stacking energy: -763.865
Base-Backbone interact. energy: -0.601
local terms energy: -824.531955
where:
bonds (distance) C4'-P energy: -159.690
bonds (distance) P-C4' energy: -154.477
flat angles C4'-P-C4' energy: -182.122
flat angles P-C4'-P energy: -112.977
tors. eta vs tors. theta energy: -215.266
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: 3
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -2219.774241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2219.774241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.774241 (E_RNA)
where:
Base-Base interactions energy: -1488.365
where: short stacking energy: -621.597
Base-Backbone interact. energy: 3.647
local terms energy: -735.055962
where:
bonds (distance) C4'-P energy: -145.846
bonds (distance) P-C4' energy: -149.809
flat angles C4'-P-C4' energy: -161.007
flat angles P-C4'-P energy: -120.625
tors. eta vs tors. theta energy: -157.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -2033.350200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.350200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.350200 (E_RNA)
where:
Base-Base interactions energy: -1329.266
where: short stacking energy: -593.573
Base-Backbone interact. energy: -0.948
local terms energy: -703.136569
where:
bonds (distance) C4'-P energy: -156.851
bonds (distance) P-C4' energy: -147.660
flat angles C4'-P-C4' energy: -159.524
flat angles P-C4'-P energy: -81.065
tors. eta vs tors. theta energy: -158.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -1217.479333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.479333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.479333 (E_RNA)
where:
Base-Base interactions energy: -660.084
where: short stacking energy: -358.120
Base-Backbone interact. energy: 4.025
local terms energy: -561.420180
where:
bonds (distance) C4'-P energy: -153.878
bonds (distance) P-C4' energy: -141.521
flat angles C4'-P-C4' energy: -121.505
flat angles P-C4'-P energy: -88.522
tors. eta vs tors. theta energy: -55.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -1105.284073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.284073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.284073 (E_RNA)
where:
Base-Base interactions energy: -587.301
where: short stacking energy: -302.688
Base-Backbone interact. energy: 2.807
local terms energy: -520.790570
where:
bonds (distance) C4'-P energy: -166.059
bonds (distance) P-C4' energy: -137.970
flat angles C4'-P-C4' energy: -132.961
flat angles P-C4'-P energy: -74.702
tors. eta vs tors. theta energy: -9.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -788.008129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.008129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.008129 (E_RNA)
where:
Base-Base interactions energy: -355.122
where: short stacking energy: -214.453
Base-Backbone interact. energy: 9.878
local terms energy: -442.764742
where:
bonds (distance) C4'-P energy: -127.227
bonds (distance) P-C4' energy: -152.444
flat angles C4'-P-C4' energy: -121.491
flat angles P-C4'-P energy: -59.341
tors. eta vs tors. theta energy: 17.738
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: 1, replica: 10
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -2965.652584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2965.652584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2965.652584 (E_RNA)
where:
Base-Base interactions energy: -2005.361
where: short stacking energy: -861.879
Base-Backbone interact. energy: 0.464
local terms energy: -960.755831
where:
bonds (distance) C4'-P energy: -173.622
bonds (distance) P-C4' energy: -187.377
flat angles C4'-P-C4' energy: -202.447
flat angles P-C4'-P energy: -143.410
tors. eta vs tors. theta energy: -253.900
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: 2, replica: 7
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -2946.920054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2946.920054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2946.920054 (E_RNA)
where:
Base-Base interactions energy: -2053.528
where: short stacking energy: -866.581
Base-Backbone interact. energy: 3.226
local terms energy: -896.618061
where:
bonds (distance) C4'-P energy: -159.126
bonds (distance) P-C4' energy: -151.743
flat angles C4'-P-C4' energy: -194.668
flat angles P-C4'-P energy: -141.533
tors. eta vs tors. theta energy: -249.549
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: 1
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -2824.014533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2824.014533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2824.014533 (E_RNA)
where:
Base-Base interactions energy: -1935.742
where: short stacking energy: -809.355
Base-Backbone interact. energy: -4.125
local terms energy: -884.147232
where:
bonds (distance) C4'-P energy: -149.235
bonds (distance) P-C4' energy: -182.289
flat angles C4'-P-C4' energy: -184.633
flat angles P-C4'-P energy: -121.333
tors. eta vs tors. theta energy: -246.657
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: 6
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -2674.626278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2674.626278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2674.626278 (E_RNA)
where:
Base-Base interactions energy: -1793.194
where: short stacking energy: -779.248
Base-Backbone interact. energy: -1.197
local terms energy: -880.234586
where:
bonds (distance) C4'-P energy: -157.580
bonds (distance) P-C4' energy: -175.094
flat angles C4'-P-C4' energy: -196.476
flat angles P-C4'-P energy: -115.143
tors. eta vs tors. theta energy: -235.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -2536.494645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2536.494645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2536.494645 (E_RNA)
where:
Base-Base interactions energy: -1723.885
where: short stacking energy: -741.708
Base-Backbone interact. energy: -1.953
local terms energy: -810.656771
where:
bonds (distance) C4'-P energy: -163.197
bonds (distance) P-C4' energy: -152.181
flat angles C4'-P-C4' energy: -185.549
flat angles P-C4'-P energy: -97.664
tors. eta vs tors. theta energy: -212.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -2239.414530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2239.414530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2239.414530 (E_RNA)
where:
Base-Base interactions energy: -1473.208
where: short stacking energy: -625.670
Base-Backbone interact. energy: -1.273
local terms energy: -764.933529
where:
bonds (distance) C4'-P energy: -176.883
bonds (distance) P-C4' energy: -147.030
flat angles C4'-P-C4' energy: -155.788
flat angles P-C4'-P energy: -110.357
tors. eta vs tors. theta energy: -174.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -2060.464838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.464838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.464838 (E_RNA)
where:
Base-Base interactions energy: -1347.361
where: short stacking energy: -580.590
Base-Backbone interact. energy: 4.484
local terms energy: -717.587504
where:
bonds (distance) C4'-P energy: -151.536
bonds (distance) P-C4' energy: -159.538
flat angles C4'-P-C4' energy: -162.848
flat angles P-C4'-P energy: -91.223
tors. eta vs tors. theta energy: -152.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -1269.754226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.754226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.754226 (E_RNA)
where:
Base-Base interactions energy: -710.001
where: short stacking energy: -372.498
Base-Backbone interact. energy: -2.348
local terms energy: -557.405973
where:
bonds (distance) C4'-P energy: -147.925
bonds (distance) P-C4' energy: -156.381
flat angles C4'-P-C4' energy: -135.414
flat angles P-C4'-P energy: -80.718
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: 9, replica: 2
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -1067.472665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.472665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.472665 (E_RNA)
where:
Base-Base interactions energy: -536.975
where: short stacking energy: -303.431
Base-Backbone interact. energy: -1.515
local terms energy: -528.982450
where:
bonds (distance) C4'-P energy: -152.054
bonds (distance) P-C4' energy: -145.547
flat angles C4'-P-C4' energy: -137.672
flat angles P-C4'-P energy: -75.050
tors. eta vs tors. theta energy: -18.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -808.581948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.581948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.581948 (E_RNA)
where:
Base-Base interactions energy: -327.326
where: short stacking energy: -218.278
Base-Backbone interact. energy: -1.474
local terms energy: -479.782406
where:
bonds (distance) C4'-P energy: -127.890
bonds (distance) P-C4' energy: -162.138
flat angles C4'-P-C4' energy: -117.603
flat angles P-C4'-P energy: -79.249
tors. eta vs tors. theta energy: 7.098
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: 10
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -3012.914644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3012.914644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3012.914644 (E_RNA)
where:
Base-Base interactions energy: -2049.881
where: short stacking energy: -879.411
Base-Backbone interact. energy: -8.146
local terms energy: -954.887616
where:
bonds (distance) C4'-P energy: -185.547
bonds (distance) P-C4' energy: -157.705
flat angles C4'-P-C4' energy: -191.992
flat angles P-C4'-P energy: -139.479
tors. eta vs tors. theta energy: -280.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -2952.333195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2952.333195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2952.333195 (E_RNA)
where:
Base-Base interactions energy: -2041.838
where: short stacking energy: -841.021
Base-Backbone interact. energy: -1.054
local terms energy: -909.440385
where:
bonds (distance) C4'-P energy: -157.776
bonds (distance) P-C4' energy: -185.476
flat angles C4'-P-C4' energy: -195.463
flat angles P-C4'-P energy: -119.811
tors. eta vs tors. theta energy: -250.914
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: 489
Temperature: 1.000000
Total energy: -2794.336079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2794.336079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2794.336079 (E_RNA)
where:
Base-Base interactions energy: -1913.128
where: short stacking energy: -775.193
Base-Backbone interact. energy: -5.481
local terms energy: -875.726961
where:
bonds (distance) C4'-P energy: -177.995
bonds (distance) P-C4' energy: -168.227
flat angles C4'-P-C4' energy: -185.341
flat angles P-C4'-P energy: -111.104
tors. eta vs tors. theta energy: -233.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -2619.718420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2619.718420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2619.718420 (E_RNA)
where:
Base-Base interactions energy: -1754.769
where: short stacking energy: -754.993
Base-Backbone interact. energy: -1.454
local terms energy: -863.495228
where:
bonds (distance) C4'-P energy: -157.500
bonds (distance) P-C4' energy: -156.996
flat angles C4'-P-C4' energy: -202.282
flat angles P-C4'-P energy: -127.302
tors. eta vs tors. theta energy: -219.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -2609.546356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2609.546356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2609.546356 (E_RNA)
where:
Base-Base interactions energy: -1788.526
where: short stacking energy: -740.059
Base-Backbone interact. energy: -1.472
local terms energy: -819.548072
where:
bonds (distance) C4'-P energy: -147.772
bonds (distance) P-C4' energy: -144.253
flat angles C4'-P-C4' energy: -179.577
flat angles P-C4'-P energy: -130.298
tors. eta vs tors. theta energy: -217.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -2154.549346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2154.549346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.549346 (E_RNA)
where:
Base-Base interactions energy: -1396.506
where: short stacking energy: -615.354
Base-Backbone interact. energy: 1.744
local terms energy: -759.787368
where:
bonds (distance) C4'-P energy: -162.729
bonds (distance) P-C4' energy: -156.703
flat angles C4'-P-C4' energy: -145.435
flat angles P-C4'-P energy: -116.068
tors. eta vs tors. theta energy: -178.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -2038.372435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.372435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.372435 (E_RNA)
where:
Base-Base interactions energy: -1321.834
where: short stacking energy: -575.716
Base-Backbone interact. energy: -2.121
local terms energy: -714.417211
where:
bonds (distance) C4'-P energy: -151.414
bonds (distance) P-C4' energy: -148.536
flat angles C4'-P-C4' energy: -164.129
flat angles P-C4'-P energy: -97.881
tors. eta vs tors. theta energy: -152.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -1250.259895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.259895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.259895 (E_RNA)
where:
Base-Base interactions energy: -698.616
where: short stacking energy: -333.554
Base-Backbone interact. energy: -2.804
local terms energy: -548.839276
where:
bonds (distance) C4'-P energy: -122.836
bonds (distance) P-C4' energy: -169.538
flat angles C4'-P-C4' energy: -143.880
flat angles P-C4'-P energy: -62.968
tors. eta vs tors. theta energy: -49.617
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: 489
Temperature: 1.300000
Total energy: -1038.743842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.743842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.743842 (E_RNA)
where:
Base-Base interactions energy: -517.488
where: short stacking energy: -282.822
Base-Backbone interact. energy: -0.098
local terms energy: -521.157928
where:
bonds (distance) C4'-P energy: -148.155
bonds (distance) P-C4' energy: -149.411
flat angles C4'-P-C4' energy: -131.270
flat angles P-C4'-P energy: -74.040
tors. eta vs tors. theta energy: -18.282
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: 10, replica: 4
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -831.853628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.853628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.853628 (E_RNA)
where:
Base-Base interactions energy: -387.943
where: short stacking energy: -240.437
Base-Backbone interact. energy: 1.114
local terms energy: -445.025064
where:
bonds (distance) C4'-P energy: -160.121
bonds (distance) P-C4' energy: -115.218
flat angles C4'-P-C4' energy: -109.744
flat angles P-C4'-P energy: -70.223
tors. eta vs tors. theta energy: 10.281
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: 10
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -2996.014413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2996.014413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2996.014413 (E_RNA)
where:
Base-Base interactions energy: -2044.618
where: short stacking energy: -874.653
Base-Backbone interact. energy: -3.240
local terms energy: -948.156468
where:
bonds (distance) C4'-P energy: -181.604
bonds (distance) P-C4' energy: -171.905
flat angles C4'-P-C4' energy: -190.922
flat angles P-C4'-P energy: -132.871
tors. eta vs tors. theta energy: -270.855
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: 7
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -2962.480377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2962.480377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2962.480377 (E_RNA)
where:
Base-Base interactions energy: -2011.932
where: short stacking energy: -849.030
Base-Backbone interact. energy: -2.889
local terms energy: -947.659306
where:
bonds (distance) C4'-P energy: -163.808
bonds (distance) P-C4' energy: -185.535
flat angles C4'-P-C4' energy: -204.965
flat angles P-C4'-P energy: -138.193
tors. eta vs tors. theta energy: -255.158
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: 1
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -2811.308299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2811.308299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2811.308299 (E_RNA)
where:
Base-Base interactions energy: -1891.048
where: short stacking energy: -825.540
Base-Backbone interact. energy: -4.468
local terms energy: -915.792104
where:
bonds (distance) C4'-P energy: -154.529
bonds (distance) P-C4' energy: -168.509
flat angles C4'-P-C4' energy: -211.281
flat angles P-C4'-P energy: -125.275
tors. eta vs tors. theta energy: -256.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -2626.782822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2626.782822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2626.782822 (E_RNA)
where:
Base-Base interactions energy: -1759.473
where: short stacking energy: -765.981
Base-Backbone interact. energy: -2.558
local terms energy: -864.751085
where:
bonds (distance) C4'-P energy: -150.252
bonds (distance) P-C4' energy: -171.878
flat angles C4'-P-C4' energy: -185.322
flat angles P-C4'-P energy: -126.279
tors. eta vs tors. theta energy: -231.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -2588.693821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2588.693821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2588.693821 (E_RNA)
where:
Base-Base interactions energy: -1749.657
where: short stacking energy: -729.651
Base-Backbone interact. energy: -2.262
local terms energy: -836.775123
where:
bonds (distance) C4'-P energy: -149.145
bonds (distance) P-C4' energy: -153.811
flat angles C4'-P-C4' energy: -177.853
flat angles P-C4'-P energy: -119.256
tors. eta vs tors. theta energy: -236.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -2132.213030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2132.213030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.213030 (E_RNA)
where:
Base-Base interactions energy: -1421.089
where: short stacking energy: -623.827
Base-Backbone interact. energy: 0.603
local terms energy: -711.727217
where:
bonds (distance) C4'-P energy: -134.797
bonds (distance) P-C4' energy: -154.940
flat angles C4'-P-C4' energy: -166.375
flat angles P-C4'-P energy: -105.502
tors. eta vs tors. theta energy: -150.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -1982.103112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.103112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.103112 (E_RNA)
where:
Base-Base interactions energy: -1294.986
where: short stacking energy: -584.009
Base-Backbone interact. energy: -2.921
local terms energy: -684.195321
where:
bonds (distance) C4'-P energy: -140.736
bonds (distance) P-C4' energy: -151.756
flat angles C4'-P-C4' energy: -148.559
flat angles P-C4'-P energy: -104.246
tors. eta vs tors. theta energy: -138.899
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: 8, replica: 8
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -1236.458372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.458372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.458372 (E_RNA)
where:
Base-Base interactions energy: -692.426
where: short stacking energy: -359.501
Base-Backbone interact. energy: -2.948
local terms energy: -541.083813
where:
bonds (distance) C4'-P energy: -157.075
bonds (distance) P-C4' energy: -159.049
flat angles C4'-P-C4' energy: -122.479
flat angles P-C4'-P energy: -63.643
tors. eta vs tors. theta energy: -38.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -1061.099470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.099470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.099470 (E_RNA)
where:
Base-Base interactions energy: -564.452
where: short stacking energy: -301.120
Base-Backbone interact. energy: -1.183
local terms energy: -495.465059
where:
bonds (distance) C4'-P energy: -145.084
bonds (distance) P-C4' energy: -139.733
flat angles C4'-P-C4' energy: -130.026
flat angles P-C4'-P energy: -65.251
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: 10, replica: 4
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -854.549024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.549024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.549024 (E_RNA)
where:
Base-Base interactions energy: -392.883
where: short stacking energy: -246.115
Base-Backbone interact. energy: 5.515
local terms energy: -467.181979
where:
bonds (distance) C4'-P energy: -146.071
bonds (distance) P-C4' energy: -138.330
flat angles C4'-P-C4' energy: -106.530
flat angles P-C4'-P energy: -85.579
tors. eta vs tors. theta energy: 9.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -3002.379081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3002.379081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3002.379081 (E_RNA)
where:
Base-Base interactions energy: -2077.459
where: short stacking energy: -873.517
Base-Backbone interact. energy: -2.599
local terms energy: -922.321017
where:
bonds (distance) C4'-P energy: -181.819
bonds (distance) P-C4' energy: -162.761
flat angles C4'-P-C4' energy: -186.171
flat angles P-C4'-P energy: -127.332
tors. eta vs tors. theta energy: -264.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -2887.624901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2887.624901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2887.624901 (E_RNA)
where:
Base-Base interactions energy: -1997.291
where: short stacking energy: -834.047
Base-Backbone interact. energy: -3.425
local terms energy: -886.909614
where:
bonds (distance) C4'-P energy: -165.258
bonds (distance) P-C4' energy: -164.140
flat angles C4'-P-C4' energy: -177.478
flat angles P-C4'-P energy: -139.644
tors. eta vs tors. theta energy: -240.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -2773.928749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2773.928749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2773.928749 (E_RNA)
where:
Base-Base interactions energy: -1898.075
where: short stacking energy: -794.093
Base-Backbone interact. energy: -2.777
local terms energy: -873.075807
where:
bonds (distance) C4'-P energy: -156.968
bonds (distance) P-C4' energy: -170.792
flat angles C4'-P-C4' energy: -187.255
flat angles P-C4'-P energy: -125.016
tors. eta vs tors. theta energy: -233.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -2650.984174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2650.984174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2650.984174 (E_RNA)
where:
Base-Base interactions energy: -1794.331
where: short stacking energy: -762.831
Base-Backbone interact. energy: -2.757
local terms energy: -853.896155
where:
bonds (distance) C4'-P energy: -153.338
bonds (distance) P-C4' energy: -164.901
flat angles C4'-P-C4' energy: -194.011
flat angles P-C4'-P energy: -107.714
tors. eta vs tors. theta energy: -233.931
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: 5
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -2533.574397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2533.574397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2533.574397 (E_RNA)
where:
Base-Base interactions energy: -1746.709
where: short stacking energy: -754.270
Base-Backbone interact. energy: -6.017
local terms energy: -780.849065
where:
bonds (distance) C4'-P energy: -133.115
bonds (distance) P-C4' energy: -150.725
flat angles C4'-P-C4' energy: -176.564
flat angles P-C4'-P energy: -105.446
tors. eta vs tors. theta energy: -214.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -2135.803121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.803121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.803121 (E_RNA)
where:
Base-Base interactions energy: -1371.157
where: short stacking energy: -575.318
Base-Backbone interact. energy: -1.581
local terms energy: -763.064508
where:
bonds (distance) C4'-P energy: -153.929
bonds (distance) P-C4' energy: -153.211
flat angles C4'-P-C4' energy: -177.423
flat angles P-C4'-P energy: -121.360
tors. eta vs tors. theta energy: -157.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -1969.743373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.743373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.743373 (E_RNA)
where:
Base-Base interactions energy: -1277.549
where: short stacking energy: -535.540
Base-Backbone interact. energy: -0.241
local terms energy: -691.953105
where:
bonds (distance) C4'-P energy: -145.314
bonds (distance) P-C4' energy: -165.051
flat angles C4'-P-C4' energy: -159.710
flat angles P-C4'-P energy: -89.439
tors. eta vs tors. theta energy: -132.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -1314.500218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.500218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.500218 (E_RNA)
where:
Base-Base interactions energy: -714.096
where: short stacking energy: -361.934
Base-Backbone interact. energy: 2.240
local terms energy: -602.644732
where:
bonds (distance) C4'-P energy: -142.252
bonds (distance) P-C4' energy: -152.548
flat angles C4'-P-C4' energy: -160.326
flat angles P-C4'-P energy: -87.708
tors. eta vs tors. theta energy: -59.810
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: 9, replica: 2
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -1020.885749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.885749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.885749 (E_RNA)
where:
Base-Base interactions energy: -515.608
where: short stacking energy: -308.407
Base-Backbone interact. energy: -1.557
local terms energy: -503.720417
where:
bonds (distance) C4'-P energy: -154.671
bonds (distance) P-C4' energy: -146.261
flat angles C4'-P-C4' energy: -105.191
flat angles P-C4'-P energy: -86.121
tors. eta vs tors. theta energy: -11.477
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: 4
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -845.011959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.011959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.011959 (E_RNA)
where:
Base-Base interactions energy: -391.302
where: short stacking energy: -208.594
Base-Backbone interact. energy: -3.941
local terms energy: -449.768812
where:
bonds (distance) C4'-P energy: -125.211
bonds (distance) P-C4' energy: -152.886
flat angles C4'-P-C4' energy: -143.645
flat angles P-C4'-P energy: -50.906
tors. eta vs tors. theta energy: 22.879
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: 10
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -2996.620405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2996.620405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2996.620405 (E_RNA)
where:
Base-Base interactions energy: -2044.098
where: short stacking energy: -869.740
Base-Backbone interact. energy: -2.416
local terms energy: -950.106388
where:
bonds (distance) C4'-P energy: -174.054
bonds (distance) P-C4' energy: -176.756
flat angles C4'-P-C4' energy: -205.545
flat angles P-C4'-P energy: -139.997
tors. eta vs tors. theta energy: -253.754
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: 7
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -2922.791007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2922.791007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2922.791007 (E_RNA)
where:
Base-Base interactions energy: -2016.079
where: short stacking energy: -824.254
Base-Backbone interact. energy: -2.226
local terms energy: -904.486039
where:
bonds (distance) C4'-P energy: -173.600
bonds (distance) P-C4' energy: -172.958
flat angles C4'-P-C4' energy: -202.203
flat angles P-C4'-P energy: -115.107
tors. eta vs tors. theta energy: -240.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -2744.253729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2744.253729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2744.253729 (E_RNA)
where:
Base-Base interactions energy: -1875.097
where: short stacking energy: -788.049
Base-Backbone interact. energy: 1.044
local terms energy: -870.200885
where:
bonds (distance) C4'-P energy: -165.160
bonds (distance) P-C4' energy: -174.978
flat angles C4'-P-C4' energy: -197.032
flat angles P-C4'-P energy: -110.048
tors. eta vs tors. theta energy: -222.983
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: 6
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -2670.135792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2670.135792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2670.135792 (E_RNA)
where:
Base-Base interactions energy: -1793.406
where: short stacking energy: -762.756
Base-Backbone interact. energy: -0.587
local terms energy: -876.142705
where:
bonds (distance) C4'-P energy: -160.790
bonds (distance) P-C4' energy: -176.116
flat angles C4'-P-C4' energy: -196.934
flat angles P-C4'-P energy: -119.000
tors. eta vs tors. theta energy: -223.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -2566.751037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.751037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2566.751037 (E_RNA)
where:
Base-Base interactions energy: -1697.160
where: short stacking energy: -742.006
Base-Backbone interact. energy: -0.642
local terms energy: -868.949055
where:
bonds (distance) C4'-P energy: -164.315
bonds (distance) P-C4' energy: -167.082
flat angles C4'-P-C4' energy: -180.612
flat angles P-C4'-P energy: -124.816
tors. eta vs tors. theta energy: -232.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -2181.586964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2181.586964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2181.586964 (E_RNA)
where:
Base-Base interactions energy: -1451.919
where: short stacking energy: -626.990
Base-Backbone interact. energy: -1.922
local terms energy: -727.745775
where:
bonds (distance) C4'-P energy: -152.627
bonds (distance) P-C4' energy: -142.576
flat angles C4'-P-C4' energy: -158.609
flat angles P-C4'-P energy: -110.761
tors. eta vs tors. theta energy: -163.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -2107.744572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.744572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.744572 (E_RNA)
where:
Base-Base interactions energy: -1381.351
where: short stacking energy: -616.117
Base-Backbone interact. energy: 3.036
local terms energy: -729.429041
where:
bonds (distance) C4'-P energy: -138.845
bonds (distance) P-C4' energy: -170.473
flat angles C4'-P-C4' energy: -164.427
flat angles P-C4'-P energy: -89.490
tors. eta vs tors. theta energy: -166.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -1310.531815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.531815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.531815 (E_RNA)
where:
Base-Base interactions energy: -735.399
where: short stacking energy: -379.105
Base-Backbone interact. energy: -2.006
local terms energy: -573.126784
where:
bonds (distance) C4'-P energy: -150.905
bonds (distance) P-C4' energy: -140.777
flat angles C4'-P-C4' energy: -135.568
flat angles P-C4'-P energy: -88.075
tors. eta vs tors. theta energy: -57.801
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: 2
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -1052.451958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.451958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.451958 (E_RNA)
where:
Base-Base interactions energy: -575.851
where: short stacking energy: -300.650
Base-Backbone interact. energy: -4.713
local terms energy: -471.887990
where:
bonds (distance) C4'-P energy: -118.985
bonds (distance) P-C4' energy: -147.490
flat angles C4'-P-C4' energy: -128.912
flat angles P-C4'-P energy: -80.108
tors. eta vs tors. theta energy: 3.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -868.066944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.066944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.066944 (E_RNA)
where:
Base-Base interactions energy: -375.927
where: short stacking energy: -233.642
Base-Backbone interact. energy: -1.435
local terms energy: -490.704801
where:
bonds (distance) C4'-P energy: -152.416
bonds (distance) P-C4' energy: -162.372
flat angles C4'-P-C4' energy: -122.336
flat angles P-C4'-P energy: -59.808
tors. eta vs tors. theta energy: 6.227
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: 10
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -3011.075127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3011.075127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3011.075127 (E_RNA)
where:
Base-Base interactions energy: -2044.816
where: short stacking energy: -874.490
Base-Backbone interact. energy: -5.151
local terms energy: -961.108482
where:
bonds (distance) C4'-P energy: -166.036
bonds (distance) P-C4' energy: -178.476
flat angles C4'-P-C4' energy: -198.725
flat angles P-C4'-P energy: -141.122
tors. eta vs tors. theta energy: -276.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -2925.618582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2925.618582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2925.618582 (E_RNA)
where:
Base-Base interactions energy: -2013.803
where: short stacking energy: -835.844
Base-Backbone interact. energy: -1.250
local terms energy: -911.476022
where:
bonds (distance) C4'-P energy: -178.895
bonds (distance) P-C4' energy: -167.751
flat angles C4'-P-C4' energy: -196.259
flat angles P-C4'-P energy: -123.354
tors. eta vs tors. theta energy: -245.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.911 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -2772.301893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2772.301893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2772.301893 (E_RNA)
where:
Base-Base interactions energy: -1870.989
where: short stacking energy: -784.374
Base-Backbone interact. energy: -4.694
local terms energy: -896.618345
where:
bonds (distance) C4'-P energy: -150.037
bonds (distance) P-C4' energy: -181.639
flat angles C4'-P-C4' energy: -194.639
flat angles P-C4'-P energy: -134.895
tors. eta vs tors. theta energy: -235.409
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: 6
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -2760.908558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2760.908558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2760.908558 (E_RNA)
where:
Base-Base interactions energy: -1843.967
where: short stacking energy: -797.597
Base-Backbone interact. energy: -1.555
local terms energy: -915.386943
where:
bonds (distance) C4'-P energy: -164.351
bonds (distance) P-C4' energy: -165.081
flat angles C4'-P-C4' energy: -195.587
flat angles P-C4'-P energy: -123.762
tors. eta vs tors. theta energy: -266.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -2568.274872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2568.274872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2568.274872 (E_RNA)
where:
Base-Base interactions energy: -1718.755
where: short stacking energy: -707.206
Base-Backbone interact. energy: -0.138
local terms energy: -849.382426
where:
bonds (distance) C4'-P energy: -178.264
bonds (distance) P-C4' energy: -168.655
flat angles C4'-P-C4' energy: -163.123
flat angles P-C4'-P energy: -133.373
tors. eta vs tors. theta energy: -205.969
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: 3
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -2219.955118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2219.955118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.955118 (E_RNA)
where:
Base-Base interactions energy: -1473.675
where: short stacking energy: -637.895
Base-Backbone interact. energy: 1.972
local terms energy: -748.252543
where:
bonds (distance) C4'-P energy: -131.754
bonds (distance) P-C4' energy: -152.685
flat angles C4'-P-C4' energy: -178.315
flat angles P-C4'-P energy: -110.975
tors. eta vs tors. theta energy: -174.524
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: 9
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -2081.519678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.519678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.519678 (E_RNA)
where:
Base-Base interactions energy: -1372.640
where: short stacking energy: -590.239
Base-Backbone interact. energy: 0.451
local terms energy: -709.330411
where:
bonds (distance) C4'-P energy: -126.390
bonds (distance) P-C4' energy: -155.385
flat angles C4'-P-C4' energy: -150.927
flat angles P-C4'-P energy: -99.874
tors. eta vs tors. theta energy: -176.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -1311.302096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.302096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.302096 (E_RNA)
where:
Base-Base interactions energy: -709.830
where: short stacking energy: -344.737
Base-Backbone interact. energy: -2.949
local terms energy: -598.523125
where:
bonds (distance) C4'-P energy: -157.142
bonds (distance) P-C4' energy: -158.683
flat angles C4'-P-C4' energy: -139.469
flat angles P-C4'-P energy: -87.331
tors. eta vs tors. theta energy: -55.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -1014.318613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.318613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.318613 (E_RNA)
where:
Base-Base interactions energy: -523.581
where: short stacking energy: -271.764
Base-Backbone interact. energy: -3.394
local terms energy: -487.343164
where:
bonds (distance) C4'-P energy: -151.185
bonds (distance) P-C4' energy: -140.709
flat angles C4'-P-C4' energy: -118.875
flat angles P-C4'-P energy: -69.235
tors. eta vs tors. theta energy: -7.339
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: 4
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -841.127079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.127079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.127079 (E_RNA)
where:
Base-Base interactions energy: -368.527
where: short stacking energy: -225.347
Base-Backbone interact. energy: 3.526
local terms energy: -476.126178
where:
bonds (distance) C4'-P energy: -143.632
bonds (distance) P-C4' energy: -139.717
flat angles C4'-P-C4' energy: -128.494
flat angles P-C4'-P energy: -72.131
tors. eta vs tors. theta energy: 7.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -3034.954648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3034.954648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3034.954648 (E_RNA)
where:
Base-Base interactions energy: -2064.870
where: short stacking energy: -861.120
Base-Backbone interact. energy: -3.746
local terms energy: -966.338545
where:
bonds (distance) C4'-P energy: -177.038
bonds (distance) P-C4' energy: -187.836
flat angles C4'-P-C4' energy: -209.003
flat angles P-C4'-P energy: -128.012
tors. eta vs tors. theta energy: -264.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -2885.580109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2885.580109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2885.580109 (E_RNA)
where:
Base-Base interactions energy: -1982.444
where: short stacking energy: -841.879
Base-Backbone interact. energy: -1.915
local terms energy: -901.510305
where:
bonds (distance) C4'-P energy: -160.316
bonds (distance) P-C4' energy: -178.636
flat angles C4'-P-C4' energy: -200.968
flat angles P-C4'-P energy: -118.984
tors. eta vs tors. theta energy: -242.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.290 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -2764.236886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2764.236886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2764.236886 (E_RNA)
where:
Base-Base interactions energy: -1880.988
where: short stacking energy: -821.076
Base-Backbone interact. energy: -3.482
local terms energy: -879.767460
where:
bonds (distance) C4'-P energy: -160.721
bonds (distance) P-C4' energy: -167.740
flat angles C4'-P-C4' energy: -179.642
flat angles P-C4'-P energy: -131.564
tors. eta vs tors. theta energy: -240.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -2721.497999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2721.497999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2721.497999 (E_RNA)
where:
Base-Base interactions energy: -1871.578
where: short stacking energy: -770.509
Base-Backbone interact. energy: -4.556
local terms energy: -845.363290
where:
bonds (distance) C4'-P energy: -161.081
bonds (distance) P-C4' energy: -139.983
flat angles C4'-P-C4' energy: -187.018
flat angles P-C4'-P energy: -113.565
tors. eta vs tors. theta energy: -243.715
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: 5, replica: 5
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -2560.664050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2560.664050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2560.664050 (E_RNA)
where:
Base-Base interactions energy: -1723.437
where: short stacking energy: -733.818
Base-Backbone interact. energy: -0.584
local terms energy: -836.643095
where:
bonds (distance) C4'-P energy: -161.117
bonds (distance) P-C4' energy: -166.263
flat angles C4'-P-C4' energy: -178.711
flat angles P-C4'-P energy: -111.367
tors. eta vs tors. theta energy: -219.185
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: 3
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -2278.626225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2278.626225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.626225 (E_RNA)
where:
Base-Base interactions energy: -1553.568
where: short stacking energy: -656.038
Base-Backbone interact. energy: 2.353
local terms energy: -727.410793
where:
bonds (distance) C4'-P energy: -142.115
bonds (distance) P-C4' energy: -152.208
flat angles C4'-P-C4' energy: -170.990
flat angles P-C4'-P energy: -104.981
tors. eta vs tors. theta energy: -157.117
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: 9
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -1982.929353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.929353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.929353 (E_RNA)
where:
Base-Base interactions energy: -1291.418
where: short stacking energy: -595.608
Base-Backbone interact. energy: 1.819
local terms energy: -693.330144
where:
bonds (distance) C4'-P energy: -125.072
bonds (distance) P-C4' energy: -166.895
flat angles C4'-P-C4' energy: -153.141
flat angles P-C4'-P energy: -92.930
tors. eta vs tors. theta energy: -155.293
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: 8
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -1259.930992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.930992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.930992 (E_RNA)
where:
Base-Base interactions energy: -693.402
where: short stacking energy: -353.269
Base-Backbone interact. energy: -4.344
local terms energy: -562.185058
where:
bonds (distance) C4'-P energy: -143.788
bonds (distance) P-C4' energy: -173.303
flat angles C4'-P-C4' energy: -131.795
flat angles P-C4'-P energy: -76.474
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: 9, replica: 2
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -1024.660917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.660917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.660917 (E_RNA)
where:
Base-Base interactions energy: -510.427
where: short stacking energy: -277.573
Base-Backbone interact. energy: 5.021
local terms energy: -519.255485
where:
bonds (distance) C4'-P energy: -155.267
bonds (distance) P-C4' energy: -153.937
flat angles C4'-P-C4' energy: -131.174
flat angles P-C4'-P energy: -67.417
tors. eta vs tors. theta energy: -11.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -815.026200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.026200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.026200 (E_RNA)
where:
Base-Base interactions energy: -344.260
where: short stacking energy: -232.203
Base-Backbone interact. energy: 2.469
local terms energy: -473.235233
where:
bonds (distance) C4'-P energy: -144.586
bonds (distance) P-C4' energy: -138.766
flat angles C4'-P-C4' energy: -134.653
flat angles P-C4'-P energy: -73.805
tors. eta vs tors. theta energy: 18.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -3038.305054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3038.305054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3038.305054 (E_RNA)
where:
Base-Base interactions energy: -2065.425
where: short stacking energy: -845.173
Base-Backbone interact. energy: -7.019
local terms energy: -965.861001
where:
bonds (distance) C4'-P energy: -162.073
bonds (distance) P-C4' energy: -188.884
flat angles C4'-P-C4' energy: -214.174
flat angles P-C4'-P energy: -136.782
tors. eta vs tors. theta energy: -263.949
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: 2, replica: 7
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -2889.466206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2889.466206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2889.466206 (E_RNA)
where:
Base-Base interactions energy: -1985.061
where: short stacking energy: -853.469
Base-Backbone interact. energy: -1.943
local terms energy: -902.463151
where:
bonds (distance) C4'-P energy: -168.658
bonds (distance) P-C4' energy: -169.393
flat angles C4'-P-C4' energy: -192.979
flat angles P-C4'-P energy: -133.064
tors. eta vs tors. theta energy: -238.369
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: 6
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -2807.306264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2807.306264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2807.306264 (E_RNA)
where:
Base-Base interactions energy: -1886.031
where: short stacking energy: -830.181
Base-Backbone interact. energy: -2.549
local terms energy: -918.726273
where:
bonds (distance) C4'-P energy: -164.777
bonds (distance) P-C4' energy: -185.756
flat angles C4'-P-C4' energy: -183.520
flat angles P-C4'-P energy: -129.772
tors. eta vs tors. theta energy: -254.901
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: 1
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -2673.724611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2673.724611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2673.724611 (E_RNA)
where:
Base-Base interactions energy: -1785.174
where: short stacking energy: -744.814
Base-Backbone interact. energy: -3.286
local terms energy: -885.265075
where:
bonds (distance) C4'-P energy: -150.768
bonds (distance) P-C4' energy: -186.742
flat angles C4'-P-C4' energy: -196.348
flat angles P-C4'-P energy: -132.454
tors. eta vs tors. theta energy: -218.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -2553.205701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2553.205701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2553.205701 (E_RNA)
where:
Base-Base interactions energy: -1724.024
where: short stacking energy: -723.205
Base-Backbone interact. energy: -0.909
local terms energy: -828.272340
where:
bonds (distance) C4'-P energy: -153.525
bonds (distance) P-C4' energy: -169.055
flat angles C4'-P-C4' energy: -162.175
flat angles P-C4'-P energy: -123.067
tors. eta vs tors. theta energy: -220.451
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: 3
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -2217.900852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2217.900852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2217.900852 (E_RNA)
where:
Base-Base interactions energy: -1471.719
where: short stacking energy: -645.006
Base-Backbone interact. energy: 3.656
local terms energy: -749.837883
where:
bonds (distance) C4'-P energy: -140.834
bonds (distance) P-C4' energy: -168.255
flat angles C4'-P-C4' energy: -179.881
flat angles P-C4'-P energy: -86.508
tors. eta vs tors. theta energy: -174.360
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: 9
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -1945.783500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.783500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.783500 (E_RNA)
where:
Base-Base interactions energy: -1269.013
where: short stacking energy: -544.877
Base-Backbone interact. energy: -1.342
local terms energy: -675.429060
where:
bonds (distance) C4'-P energy: -136.978
bonds (distance) P-C4' energy: -152.879
flat angles C4'-P-C4' energy: -154.993
flat angles P-C4'-P energy: -95.710
tors. eta vs tors. theta energy: -134.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -1267.964928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.964928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.964928 (E_RNA)
where:
Base-Base interactions energy: -721.630
where: short stacking energy: -368.895
Base-Backbone interact. energy: -0.897
local terms energy: -545.438064
where:
bonds (distance) C4'-P energy: -134.951
bonds (distance) P-C4' energy: -147.966
flat angles C4'-P-C4' energy: -140.280
flat angles P-C4'-P energy: -84.244
tors. eta vs tors. theta energy: -37.998
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: 9, replica: 2
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -1040.895247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.895247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.895247 (E_RNA)
where:
Base-Base interactions energy: -548.039
where: short stacking energy: -302.973
Base-Backbone interact. energy: 1.037
local terms energy: -493.892969
where:
bonds (distance) C4'-P energy: -143.214
bonds (distance) P-C4' energy: -136.622
flat angles C4'-P-C4' energy: -131.955
flat angles P-C4'-P energy: -62.981
tors. eta vs tors. theta energy: -19.121
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: 4
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -788.080021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.080021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.080021 (E_RNA)
where:
Base-Base interactions energy: -344.185
where: short stacking energy: -234.390
Base-Backbone interact. energy: 3.368
local terms energy: -447.262578
where:
bonds (distance) C4'-P energy: -143.656
bonds (distance) P-C4' energy: -138.988
flat angles C4'-P-C4' energy: -101.641
flat angles P-C4'-P energy: -67.727
tors. eta vs tors. theta energy: 4.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -3028.740222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3028.740222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3028.740222 (E_RNA)
where:
Base-Base interactions energy: -2061.259
where: short stacking energy: -864.577
Base-Backbone interact. energy: -4.638
local terms energy: -962.843218
where:
bonds (distance) C4'-P energy: -185.243
bonds (distance) P-C4' energy: -172.435
flat angles C4'-P-C4' energy: -212.822
flat angles P-C4'-P energy: -137.638
tors. eta vs tors. theta energy: -254.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -2868.676980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2868.676980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2868.676980 (E_RNA)
where:
Base-Base interactions energy: -1945.685
where: short stacking energy: -810.100
Base-Backbone interact. energy: -1.961
local terms energy: -921.030879
where:
bonds (distance) C4'-P energy: -163.567
bonds (distance) P-C4' energy: -172.187
flat angles C4'-P-C4' energy: -207.272
flat angles P-C4'-P energy: -134.666
tors. eta vs tors. theta energy: -243.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -2824.239257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2824.239257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2824.239257 (E_RNA)
where:
Base-Base interactions energy: -1900.370
where: short stacking energy: -838.128
Base-Backbone interact. energy: -4.866
local terms energy: -919.003222
where:
bonds (distance) C4'-P energy: -172.218
bonds (distance) P-C4' energy: -173.834
flat angles C4'-P-C4' energy: -195.821
flat angles P-C4'-P energy: -129.366
tors. eta vs tors. theta energy: -247.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -2662.768767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2662.768767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2662.768767 (E_RNA)
where:
Base-Base interactions energy: -1814.846
where: short stacking energy: -747.419
Base-Backbone interact. energy: -1.565
local terms energy: -846.357771
where:
bonds (distance) C4'-P energy: -151.072
bonds (distance) P-C4' energy: -147.203
flat angles C4'-P-C4' energy: -192.930
flat angles P-C4'-P energy: -129.467
tors. eta vs tors. theta energy: -225.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -2571.432126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2571.432126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2571.432126 (E_RNA)
where:
Base-Base interactions energy: -1747.488
where: short stacking energy: -740.696
Base-Backbone interact. energy: -0.822
local terms energy: -823.121752
where:
bonds (distance) C4'-P energy: -158.549
bonds (distance) P-C4' energy: -163.236
flat angles C4'-P-C4' energy: -176.202
flat angles P-C4'-P energy: -110.023
tors. eta vs tors. theta energy: -215.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -2258.483120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2258.483120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2258.483120 (E_RNA)
where:
Base-Base interactions energy: -1516.249
where: short stacking energy: -666.857
Base-Backbone interact. energy: -2.992
local terms energy: -739.241972
where:
bonds (distance) C4'-P energy: -129.646
bonds (distance) P-C4' energy: -151.027
flat angles C4'-P-C4' energy: -175.320
flat angles P-C4'-P energy: -110.469
tors. eta vs tors. theta energy: -172.780
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: 9
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -1942.036357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.036357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.036357 (E_RNA)
where:
Base-Base interactions energy: -1224.127
where: short stacking energy: -559.971
Base-Backbone interact. energy: -2.879
local terms energy: -715.030681
where:
bonds (distance) C4'-P energy: -136.149
bonds (distance) P-C4' energy: -140.725
flat angles C4'-P-C4' energy: -173.106
flat angles P-C4'-P energy: -118.162
tors. eta vs tors. theta energy: -146.889
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: 8
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -1284.357247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.357247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.357247 (E_RNA)
where:
Base-Base interactions energy: -732.460
where: short stacking energy: -399.727
Base-Backbone interact. energy: -3.152
local terms energy: -548.746105
where:
bonds (distance) C4'-P energy: -120.285
bonds (distance) P-C4' energy: -159.216
flat angles C4'-P-C4' energy: -143.552
flat angles P-C4'-P energy: -77.076
tors. eta vs tors. theta energy: -48.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -1095.595923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.595923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.595923 (E_RNA)
where:
Base-Base interactions energy: -568.191
where: short stacking energy: -331.953
Base-Backbone interact. energy: -0.167
local terms energy: -527.237955
where:
bonds (distance) C4'-P energy: -140.380
bonds (distance) P-C4' energy: -139.167
flat angles C4'-P-C4' energy: -141.457
flat angles P-C4'-P energy: -89.299
tors. eta vs tors. theta energy: -16.936
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: 496
Temperature: 1.350000
Total energy: -854.276733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.276733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.276733 (E_RNA)
where:
Base-Base interactions energy: -422.130
where: short stacking energy: -279.763
Base-Backbone interact. energy: 4.830
local terms energy: -436.977559
where:
bonds (distance) C4'-P energy: -146.054
bonds (distance) P-C4' energy: -127.420
flat angles C4'-P-C4' energy: -113.692
flat angles P-C4'-P energy: -53.361
tors. eta vs tors. theta energy: 3.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -3055.997119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3055.997119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3055.997119 (E_RNA)
where:
Base-Base interactions energy: -2073.071
where: short stacking energy: -845.869
Base-Backbone interact. energy: -3.657
local terms energy: -979.269298
where:
bonds (distance) C4'-P energy: -175.438
bonds (distance) P-C4' energy: -190.163
flat angles C4'-P-C4' energy: -208.671
flat angles P-C4'-P energy: -139.423
tors. eta vs tors. theta energy: -265.574
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: 497
Temperature: 0.950000
Total energy: -2878.899079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2878.899079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2878.899079 (E_RNA)
where:
Base-Base interactions energy: -1967.376
where: short stacking energy: -823.373
Base-Backbone interact. energy: -1.932
local terms energy: -909.591538
where:
bonds (distance) C4'-P energy: -174.607
bonds (distance) P-C4' energy: -165.631
flat angles C4'-P-C4' energy: -203.803
flat angles P-C4'-P energy: -121.785
tors. eta vs tors. theta energy: -243.765
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: 6
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -2778.755152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2778.755152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2778.755152 (E_RNA)
where:
Base-Base interactions energy: -1913.399
where: short stacking energy: -789.569
Base-Backbone interact. energy: -2.619
local terms energy: -862.737253
where:
bonds (distance) C4'-P energy: -152.961
bonds (distance) P-C4' energy: -157.876
flat angles C4'-P-C4' energy: -205.062
flat angles P-C4'-P energy: -104.131
tors. eta vs tors. theta energy: -242.707
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: 1
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -2696.024246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2696.024246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2696.024246 (E_RNA)
where:
Base-Base interactions energy: -1849.396
where: short stacking energy: -792.866
Base-Backbone interact. energy: -0.677
local terms energy: -845.951482
where:
bonds (distance) C4'-P energy: -141.409
bonds (distance) P-C4' energy: -169.434
flat angles C4'-P-C4' energy: -180.356
flat angles P-C4'-P energy: -108.552
tors. eta vs tors. theta energy: -246.200
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: 5, replica: 5
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -2565.464682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2565.464682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2565.464682 (E_RNA)
where:
Base-Base interactions energy: -1759.243
where: short stacking energy: -744.857
Base-Backbone interact. energy: -0.596
local terms energy: -805.625458
where:
bonds (distance) C4'-P energy: -147.087
bonds (distance) P-C4' energy: -154.618
flat angles C4'-P-C4' energy: -175.260
flat angles P-C4'-P energy: -100.738
tors. eta vs tors. theta energy: -227.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -2180.464601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.464601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2180.464601 (E_RNA)
where:
Base-Base interactions energy: -1461.152
where: short stacking energy: -640.273
Base-Backbone interact. energy: 0.045
local terms energy: -719.357765
where:
bonds (distance) C4'-P energy: -124.201
bonds (distance) P-C4' energy: -162.952
flat angles C4'-P-C4' energy: -161.623
flat angles P-C4'-P energy: -109.841
tors. eta vs tors. theta energy: -160.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -1950.172400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.172400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.172400 (E_RNA)
where:
Base-Base interactions energy: -1256.236
where: short stacking energy: -548.951
Base-Backbone interact. energy: -1.600
local terms energy: -692.336322
where:
bonds (distance) C4'-P energy: -151.363
bonds (distance) P-C4' energy: -158.748
flat angles C4'-P-C4' energy: -161.273
flat angles P-C4'-P energy: -87.260
tors. eta vs tors. theta energy: -133.693
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: 8
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -1278.792153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.792153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.792153 (E_RNA)
where:
Base-Base interactions energy: -724.828
where: short stacking energy: -395.300
Base-Backbone interact. energy: -3.157
local terms energy: -550.806943
where:
bonds (distance) C4'-P energy: -138.528
bonds (distance) P-C4' energy: -142.181
flat angles C4'-P-C4' energy: -139.649
flat angles P-C4'-P energy: -80.890
tors. eta vs tors. theta energy: -49.560
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: 2
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -1163.123594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.123594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.123594 (E_RNA)
where:
Base-Base interactions energy: -636.828
where: short stacking energy: -325.978
Base-Backbone interact. energy: 0.859
local terms energy: -527.153654
where:
bonds (distance) C4'-P energy: -143.558
bonds (distance) P-C4' energy: -164.056
flat angles C4'-P-C4' energy: -132.446
flat angles P-C4'-P energy: -58.367
tors. eta vs tors. theta energy: -28.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -801.724319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.724319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.724319 (E_RNA)
where:
Base-Base interactions energy: -339.049
where: short stacking energy: -237.950
Base-Backbone interact. energy: 2.998
local terms energy: -465.673585
where:
bonds (distance) C4'-P energy: -143.375
bonds (distance) P-C4' energy: -138.304
flat angles C4'-P-C4' energy: -143.407
flat angles P-C4'-P energy: -63.607
tors. eta vs tors. theta energy: 23.020
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: 1, replica: 10
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -3007.002078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3007.002078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3007.002078 (E_RNA)
where:
Base-Base interactions energy: -2060.943
where: short stacking energy: -862.376
Base-Backbone interact. energy: -6.026
local terms energy: -940.032586
where:
bonds (distance) C4'-P energy: -169.669
bonds (distance) P-C4' energy: -171.366
flat angles C4'-P-C4' energy: -199.258
flat angles P-C4'-P energy: -142.437
tors. eta vs tors. theta energy: -257.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -2870.137205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2870.137205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2870.137205 (E_RNA)
where:
Base-Base interactions energy: -1961.805
where: short stacking energy: -845.594
Base-Backbone interact. energy: -4.170
local terms energy: -904.162559
where:
bonds (distance) C4'-P energy: -166.817
bonds (distance) P-C4' energy: -165.724
flat angles C4'-P-C4' energy: -202.527
flat angles P-C4'-P energy: -118.796
tors. eta vs tors. theta energy: -250.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -2780.131251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2780.131251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2780.131251 (E_RNA)
where:
Base-Base interactions energy: -1891.683
where: short stacking energy: -780.848
Base-Backbone interact. energy: -0.060
local terms energy: -888.388476
where:
bonds (distance) C4'-P energy: -162.078
bonds (distance) P-C4' energy: -179.885
flat angles C4'-P-C4' energy: -187.213
flat angles P-C4'-P energy: -133.724
tors. eta vs tors. theta energy: -225.488
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: 1
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -2622.202109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2622.202109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2622.202109 (E_RNA)
where:
Base-Base interactions energy: -1756.149
where: short stacking energy: -768.381
Base-Backbone interact. energy: -3.327
local terms energy: -862.726520
where:
bonds (distance) C4'-P energy: -145.341
bonds (distance) P-C4' energy: -165.867
flat angles C4'-P-C4' energy: -190.083
flat angles P-C4'-P energy: -128.138
tors. eta vs tors. theta energy: -233.297
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: 498
Temperature: 1.100000
Total energy: -2618.718084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2618.718084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2618.718084 (E_RNA)
where:
Base-Base interactions energy: -1816.976
where: short stacking energy: -784.239
Base-Backbone interact. energy: 0.501
local terms energy: -802.243277
where:
bonds (distance) C4'-P energy: -130.353
bonds (distance) P-C4' energy: -181.067
flat angles C4'-P-C4' energy: -180.625
flat angles P-C4'-P energy: -99.461
tors. eta vs tors. theta energy: -210.737
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: 3
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -2158.735265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2158.735265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2158.735265 (E_RNA)
where:
Base-Base interactions energy: -1453.222
where: short stacking energy: -618.129
Base-Backbone interact. energy: 6.823
local terms energy: -712.336979
where:
bonds (distance) C4'-P energy: -151.235
bonds (distance) P-C4' energy: -167.220
flat angles C4'-P-C4' energy: -148.888
flat angles P-C4'-P energy: -104.173
tors. eta vs tors. theta energy: -140.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -1973.901306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.901306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.901306 (E_RNA)
where:
Base-Base interactions energy: -1278.426
where: short stacking energy: -533.110
Base-Backbone interact. energy: -0.734
local terms energy: -694.741186
where:
bonds (distance) C4'-P energy: -149.603
bonds (distance) P-C4' energy: -153.760
flat angles C4'-P-C4' energy: -159.190
flat angles P-C4'-P energy: -99.124
tors. eta vs tors. theta energy: -133.065
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: 8
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -1302.739140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.739140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.739140 (E_RNA)
where:
Base-Base interactions energy: -717.756
where: short stacking energy: -333.595
Base-Backbone interact. energy: -2.245
local terms energy: -582.738515
where:
bonds (distance) C4'-P energy: -146.226
bonds (distance) P-C4' energy: -156.071
flat angles C4'-P-C4' energy: -168.825
flat angles P-C4'-P energy: -73.686
tors. eta vs tors. theta energy: -37.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -1066.654884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.654884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.654884 (E_RNA)
where:
Base-Base interactions energy: -577.087
where: short stacking energy: -297.573
Base-Backbone interact. energy: 3.277
local terms energy: -492.844448
where:
bonds (distance) C4'-P energy: -139.156
bonds (distance) P-C4' energy: -145.169
flat angles C4'-P-C4' energy: -133.602
flat angles P-C4'-P energy: -67.338
tors. eta vs tors. theta energy: -7.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -823.396919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.396919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.396919 (E_RNA)
where:
Base-Base interactions energy: -345.596
where: short stacking energy: -211.430
Base-Backbone interact. energy: 1.973
local terms energy: -479.774350
where:
bonds (distance) C4'-P energy: -145.178
bonds (distance) P-C4' energy: -139.127
flat angles C4'-P-C4' energy: -134.661
flat angles P-C4'-P energy: -89.057
tors. eta vs tors. theta energy: 28.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -3046.748514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3046.748514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3046.748514 (E_RNA)
where:
Base-Base interactions energy: -2113.772
where: short stacking energy: -862.748
Base-Backbone interact. energy: -5.137
local terms energy: -927.839472
where:
bonds (distance) C4'-P energy: -161.448
bonds (distance) P-C4' energy: -181.492
flat angles C4'-P-C4' energy: -191.976
flat angles P-C4'-P energy: -139.807
tors. eta vs tors. theta energy: -253.116
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: 7
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -2875.269034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2875.269034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2875.269034 (E_RNA)
where:
Base-Base interactions energy: -1979.011
where: short stacking energy: -833.129
Base-Backbone interact. energy: -1.297
local terms energy: -894.960809
where:
bonds (distance) C4'-P energy: -163.219
bonds (distance) P-C4' energy: -167.838
flat angles C4'-P-C4' energy: -194.749
flat angles P-C4'-P energy: -130.814
tors. eta vs tors. theta energy: -238.340
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: 3, replica: 6
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -2767.068945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2767.068945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2767.068945 (E_RNA)
where:
Base-Base interactions energy: -1876.042
where: short stacking energy: -801.102
Base-Backbone interact. energy: -2.659
local terms energy: -888.367763
where:
bonds (distance) C4'-P energy: -153.072
bonds (distance) P-C4' energy: -166.450
flat angles C4'-P-C4' energy: -193.121
flat angles P-C4'-P energy: -129.205
tors. eta vs tors. theta energy: -246.520
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: 1
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -2631.020583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2631.020583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2631.020583 (E_RNA)
where:
Base-Base interactions energy: -1783.522
where: short stacking energy: -755.630
Base-Backbone interact. energy: 3.615
local terms energy: -851.113515
where:
bonds (distance) C4'-P energy: -164.399
bonds (distance) P-C4' energy: -165.904
flat angles C4'-P-C4' energy: -188.691
flat angles P-C4'-P energy: -109.039
tors. eta vs tors. theta energy: -223.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -2571.342092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2571.342092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2571.342092 (E_RNA)
where:
Base-Base interactions energy: -1757.833
where: short stacking energy: -782.250
Base-Backbone interact. energy: -2.208
local terms energy: -811.300897
where:
bonds (distance) C4'-P energy: -152.133
bonds (distance) P-C4' energy: -148.384
flat angles C4'-P-C4' energy: -174.968
flat angles P-C4'-P energy: -107.946
tors. eta vs tors. theta energy: -227.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -2164.225862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.225862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.225862 (E_RNA)
where:
Base-Base interactions energy: -1424.880
where: short stacking energy: -610.600
Base-Backbone interact. energy: -4.551
local terms energy: -734.794666
where:
bonds (distance) C4'-P energy: -171.356
bonds (distance) P-C4' energy: -154.059
flat angles C4'-P-C4' energy: -159.232
flat angles P-C4'-P energy: -114.455
tors. eta vs tors. theta energy: -135.692
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: 9
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -1923.349570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.349570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.349570 (E_RNA)
where:
Base-Base interactions energy: -1245.144
where: short stacking energy: -544.053
Base-Backbone interact. energy: 3.007
local terms energy: -681.213020
where:
bonds (distance) C4'-P energy: -150.637
bonds (distance) P-C4' energy: -163.563
flat angles C4'-P-C4' energy: -147.614
flat angles P-C4'-P energy: -89.207
tors. eta vs tors. theta energy: -130.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -1251.146759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.146759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.146759 (E_RNA)
where:
Base-Base interactions energy: -701.076
where: short stacking energy: -366.620
Base-Backbone interact. energy: -0.020
local terms energy: -550.050393
where:
bonds (distance) C4'-P energy: -130.318
bonds (distance) P-C4' energy: -156.882
flat angles C4'-P-C4' energy: -146.679
flat angles P-C4'-P energy: -77.517
tors. eta vs tors. theta energy: -38.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -1050.470378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.470378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.470378 (E_RNA)
where:
Base-Base interactions energy: -550.528
where: short stacking energy: -281.718
Base-Backbone interact. energy: -0.164
local terms energy: -499.779148
where:
bonds (distance) C4'-P energy: -147.807
bonds (distance) P-C4' energy: -127.761
flat angles C4'-P-C4' energy: -126.992
flat angles P-C4'-P energy: -78.547
tors. eta vs tors. theta energy: -18.672
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: 10, replica: 4
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -830.048491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.048491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.048491 (E_RNA)
where:
Base-Base interactions energy: -365.461
where: short stacking energy: -232.380
Base-Backbone interact. energy: -1.681
local terms energy: -462.906406
where:
bonds (distance) C4'-P energy: -137.263
bonds (distance) P-C4' energy: -135.335
flat angles C4'-P-C4' energy: -111.229
flat angles P-C4'-P energy: -98.239
tors. eta vs tors. theta energy: 19.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -3041.755537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3041.755537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3041.755537 (E_RNA)
where:
Base-Base interactions energy: -2071.423
where: short stacking energy: -843.456
Base-Backbone interact. energy: 1.416
local terms energy: -971.748897
where:
bonds (distance) C4'-P energy: -190.000
bonds (distance) P-C4' energy: -170.092
flat angles C4'-P-C4' energy: -212.075
flat angles P-C4'-P energy: -138.099
tors. eta vs tors. theta energy: -261.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -2858.301419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2858.301419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2858.301419 (E_RNA)
where:
Base-Base interactions energy: -1951.995
where: short stacking energy: -794.950
Base-Backbone interact. energy: 0.152
local terms energy: -906.457495
where:
bonds (distance) C4'-P energy: -164.076
bonds (distance) P-C4' energy: -174.772
flat angles C4'-P-C4' energy: -199.324
flat angles P-C4'-P energy: -135.117
tors. eta vs tors. theta energy: -233.168
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: 6
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -2772.137527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2772.137527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2772.137527 (E_RNA)
where:
Base-Base interactions energy: -1886.215
where: short stacking energy: -805.783
Base-Backbone interact. energy: -5.904
local terms energy: -880.018651
where:
bonds (distance) C4'-P energy: -150.779
bonds (distance) P-C4' energy: -175.957
flat angles C4'-P-C4' energy: -188.030
flat angles P-C4'-P energy: -123.530
tors. eta vs tors. theta energy: -241.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -2625.319679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2625.319679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2625.319679 (E_RNA)
where:
Base-Base interactions energy: -1761.018
where: short stacking energy: -720.239
Base-Backbone interact. energy: -2.640
local terms energy: -861.662515
where:
bonds (distance) C4'-P energy: -151.063
bonds (distance) P-C4' energy: -172.424
flat angles C4'-P-C4' energy: -196.284
flat angles P-C4'-P energy: -112.242
tors. eta vs tors. theta energy: -229.651
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: 5
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -2619.333984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2619.333984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2619.333984 (E_RNA)
where:
Base-Base interactions energy: -1781.708
where: short stacking energy: -773.811
Base-Backbone interact. energy: -0.024
local terms energy: -837.602300
where:
bonds (distance) C4'-P energy: -159.638
bonds (distance) P-C4' energy: -160.844
flat angles C4'-P-C4' energy: -183.393
flat angles P-C4'-P energy: -109.576
tors. eta vs tors. theta energy: -224.151
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: 6, replica: 3
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -2149.331215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2149.331215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.331215 (E_RNA)
where:
Base-Base interactions energy: -1445.748
where: short stacking energy: -602.586
Base-Backbone interact. energy: 1.454
local terms energy: -705.037063
where:
bonds (distance) C4'-P energy: -142.303
bonds (distance) P-C4' energy: -145.367
flat angles C4'-P-C4' energy: -175.997
flat angles P-C4'-P energy: -90.196
tors. eta vs tors. theta energy: -151.175
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: 9
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -1876.958839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.958839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.958839 (E_RNA)
where:
Base-Base interactions energy: -1177.927
where: short stacking energy: -524.116
Base-Backbone interact. energy: 3.853
local terms energy: -702.884723
where:
bonds (distance) C4'-P energy: -151.797
bonds (distance) P-C4' energy: -146.343
flat angles C4'-P-C4' energy: -159.372
flat angles P-C4'-P energy: -113.459
tors. eta vs tors. theta energy: -131.914
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: 8
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -1325.973848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.973848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.973848 (E_RNA)
where:
Base-Base interactions energy: -774.399
where: short stacking energy: -386.083
Base-Backbone interact. energy: 1.574
local terms energy: -553.149226
where:
bonds (distance) C4'-P energy: -137.645
bonds (distance) P-C4' energy: -146.569
flat angles C4'-P-C4' energy: -145.018
flat angles P-C4'-P energy: -89.520
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: 9, replica: 2
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -1094.440150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.440150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.440150 (E_RNA)
where:
Base-Base interactions energy: -589.965
where: short stacking energy: -319.297
Base-Backbone interact. energy: 0.626
local terms energy: -505.101428
where:
bonds (distance) C4'-P energy: -126.022
bonds (distance) P-C4' energy: -150.990
flat angles C4'-P-C4' energy: -142.796
flat angles P-C4'-P energy: -81.092
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: 10, replica: 4
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -817.689749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.689749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.689749 (E_RNA)
where:
Base-Base interactions energy: -371.116
where: short stacking energy: -227.056
Base-Backbone interact. energy: 2.231
local terms energy: -448.804612
where:
bonds (distance) C4'-P energy: -110.409
bonds (distance) P-C4' energy: -163.543
flat angles C4'-P-C4' energy: -120.581
flat angles P-C4'-P energy: -70.299
tors. eta vs tors. theta energy: 16.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -3066.595507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -3066.595507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -3066.595507 (E_RNA)
where:
Base-Base interactions energy: -2105.771
where: short stacking energy: -874.041
Base-Backbone interact. energy: -7.355
local terms energy: -953.469521
where:
bonds (distance) C4'-P energy: -171.944
bonds (distance) P-C4' energy: -181.582
flat angles C4'-P-C4' energy: -205.343
flat angles P-C4'-P energy: -128.564
tors. eta vs tors. theta energy: -266.038
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: 2, replica: 7
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -2854.142612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2854.142612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2854.142612 (E_RNA)
where:
Base-Base interactions energy: -1961.474
where: short stacking energy: -805.735
Base-Backbone interact. energy: -1.604
local terms energy: -891.064490
where:
bonds (distance) C4'-P energy: -168.898
bonds (distance) P-C4' energy: -189.427
flat angles C4'-P-C4' energy: -182.297
flat angles P-C4'-P energy: -115.305
tors. eta vs tors. theta energy: -235.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -2785.679061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2785.679061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2785.679061 (E_RNA)
where:
Base-Base interactions energy: -1919.434
where: short stacking energy: -818.293
Base-Backbone interact. energy: -2.367
local terms energy: -863.878311
where:
bonds (distance) C4'-P energy: -164.078
bonds (distance) P-C4' energy: -164.693
flat angles C4'-P-C4' energy: -182.483
flat angles P-C4'-P energy: -118.919
tors. eta vs tors. theta energy: -233.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -2630.451678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2630.451678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2630.451678 (E_RNA)
where:
Base-Base interactions energy: -1802.292
where: short stacking energy: -777.342
Base-Backbone interact. energy: -1.494
local terms energy: -826.665009
where:
bonds (distance) C4'-P energy: -145.973
bonds (distance) P-C4' energy: -171.729
flat angles C4'-P-C4' energy: -178.049
flat angles P-C4'-P energy: -92.823
tors. eta vs tors. theta energy: -238.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -2565.888923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2565.888923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2565.888923 (E_RNA)
where:
Base-Base interactions energy: -1737.139
where: short stacking energy: -766.877
Base-Backbone interact. energy: -2.315
local terms energy: -826.434531
where:
bonds (distance) C4'-P energy: -150.340
bonds (distance) P-C4' energy: -169.703
flat angles C4'-P-C4' energy: -175.665
flat angles P-C4'-P energy: -97.508
tors. eta vs tors. theta energy: -233.219
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: 6, replica: 3
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -2097.261029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.261029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.261029 (E_RNA)
where:
Base-Base interactions energy: -1362.830
where: short stacking energy: -581.507
Base-Backbone interact. energy: 0.605
local terms energy: -735.035822
where:
bonds (distance) C4'-P energy: -155.591
bonds (distance) P-C4' energy: -168.201
flat angles C4'-P-C4' energy: -171.491
flat angles P-C4'-P energy: -104.849
tors. eta vs tors. theta energy: -134.903
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: 9
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -1858.378193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.378193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.378193 (E_RNA)
where:
Base-Base interactions energy: -1150.610
where: short stacking energy: -510.692
Base-Backbone interact. energy: 3.355
local terms energy: -711.123614
where:
bonds (distance) C4'-P energy: -160.526
bonds (distance) P-C4' energy: -163.343
flat angles C4'-P-C4' energy: -145.180
flat angles P-C4'-P energy: -114.809
tors. eta vs tors. theta energy: -127.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -1387.738253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.738253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.738253 (E_RNA)
where:
Base-Base interactions energy: -803.932
where: short stacking energy: -384.018
Base-Backbone interact. energy: 1.347
local terms energy: -585.152911
where:
bonds (distance) C4'-P energy: -140.618
bonds (distance) P-C4' energy: -169.627
flat angles C4'-P-C4' energy: -145.934
flat angles P-C4'-P energy: -82.252
tors. eta vs tors. theta energy: -46.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -1042.105467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.105467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.105467 (E_RNA)
where:
Base-Base interactions energy: -539.709
where: short stacking energy: -304.656
Base-Backbone interact. energy: -1.242
local terms energy: -501.154453
where:
bonds (distance) C4'-P energy: -144.628
bonds (distance) P-C4' energy: -132.019
flat angles C4'-P-C4' energy: -131.561
flat angles P-C4'-P energy: -74.518
tors. eta vs tors. theta energy: -18.429
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: 4
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -802.659962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.659962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.659962 (E_RNA)
where:
Base-Base interactions energy: -353.321
where: short stacking energy: -216.574
Base-Backbone interact. energy: 2.101
local terms energy: -451.440357
where:
bonds (distance) C4'-P energy: -129.610
bonds (distance) P-C4' energy: -161.030
flat angles C4'-P-C4' energy: -102.485
flat angles P-C4'-P energy: -74.007
tors. eta vs tors. theta energy: 15.692
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)
replica 10 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 159913084
moves confirmed later: 176630337
all moves confirmed: 336543421
percent of confirmed moves: 42.067928
current total energy: -2975.268935
recalc. total energy: -2975.268935
replica 7 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 161656164
moves confirmed later: 179278937
all moves confirmed: 340935101
percent of confirmed moves: 42.616888
current total energy: -2721.313487
recalc. total energy: -2721.313487
replica 6 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 181911945
moves confirmed later: 205106387
all moves confirmed: 387018332
percent of confirmed moves: 48.377291
current total energy: -2614.274518
recalc. total energy: -2614.274518
replica 5 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 194628203
moves confirmed later: 221224310
all moves confirmed: 415852513
percent of confirmed moves: 51.981564
current total energy: -2547.847285
recalc. total energy: -2547.847285
replica 1 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 187149734
moves confirmed later: 211959436
all moves confirmed: 399109170
percent of confirmed moves: 49.888646
current total energy: -2475.246670
recalc. total energy: -2475.246670
replica 3 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 162539836
moves confirmed later: 181000880
all moves confirmed: 343540716
percent of confirmed moves: 42.942589
current total energy: -1842.555640
recalc. total energy: -1842.555640
replica 9 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 269551531
moves confirmed later: 319788444
all moves confirmed: 589339975
percent of confirmed moves: 73.667497
current total energy: -1718.806351
recalc. total energy: -1718.806351
replica 8 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 295085762
moves confirmed later: 353413278
all moves confirmed: 648499040
percent of confirmed moves: 81.062380
current total energy: -1234.203393
recalc. total energy: -1234.203393
replica 2 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 315729994
moves confirmed later: 380014607
all moves confirmed: 695744601
percent of confirmed moves: 86.968075
current total energy: -908.168829
recalc. total energy: -908.168829
replica 4 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 341602117
moves confirmed later: 414198934
all moves confirmed: 755801051
percent of confirmed moves: 94.475131
current total energy: -649.706167
recalc. total energy: -649.706167
out arg RESULTS//1/IGHCON-9e002926_01
Time of doing 8000000 iterations: 78121.080 seconds